Glycoside
...
GD017367

Name:
None

Formula:
C166H174O50N24Cl4

Smiles:
CN[C@@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCc4cccc(NC(=O)c5ccc(C)c6oc7c(C)c(=O)c(N)c(C(=O)Nc8cccc(CNC(=O)[C@H]9NC(=O)[C@H]%10NC(=O)[C@@H](NC(=O)[C@H]%11NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c%12ccc(c(Cl)c%12)Oc%12cc%11cc(c%12O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O[C@@H]%11C[C@@](C)(N)[C@H](O)[C@H](C)O%11)Oc%11ccc(cc%11Cl)[C@H]%10O)c%10ccc(O)c(c%10)-c%10c(O)cc(O)cc%109)c8)c-7nc56)c4)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2C[C@@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CC1OC(O)CC(C)(N)C1O.CC1OC(O)CC(C)(N)C1O.CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCc4cccc(NC(=O)c5c6nc7c(C(=O)Nc8cccc(CNC(=O)C9NC(=O)C%10NC(=O)C(NC(=O)C%11NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c%12ccc(c(Cl)c%12)Oc%12cc%11cc(c%12O)Oc%11ccc(cc%11Cl)C%10O)c%10ccc(O)c(c%10)-c%10c(O)cc(O)cc%109)c8)ccc(C)c7oc-6c(C)c(=O)c5N)c4)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 74 RingCount: 29
HBD: 46 FractionCSP3: 0.37
AlogP: 4.3 Num_rotatable_bonds: 34
MolWt: 3399.1 Num_heavy_atoms: 240
TPSA: 1171.9 NumAromaticRings: 13

Unique Aglycone
AD00183
Formula: C7H15O3N

Smiles:
CC1OC(O)CC(C)(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -0.81 Num_rotatable_bonds: 0
MolWt: 161.2 Num_heavy_atoms: 11
TPSA: 75.71 NumAromaticRings: 0
AD12398
Formula: C140H128O36N22Cl4

Smiles:
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCc4cccc(NC(=O)c5c6nc7c(C(=O)Nc8cccc(CNC(=O)C9NC(=O)C%10NC(=O)C(NC(=O)C%11NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c%12ccc(c(Cl)c%12)Oc%12cc%11cc(c%12O)Oc%11ccc(cc%11Cl)C%10O)c%10ccc(O)c(c%10)-c%10c(O)cc(O)cc%109)c8)ccc(C)c7oc-6c(C)c(=O)c5N)c4)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 58 RingCount: 25
HBD: 36 FractionCSP3: 0.25
AlogP: 8.88 Num_rotatable_bonds: 24
MolWt: 2788.45 Num_heavy_atoms: 198
TPSA: 924.64 NumAromaticRings: 13

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O