Glycoside
...
GD017754

Name:
None

Formula:
C83H87O24N11F3Cl3

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)O)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)(NCCCCNc3cc(C(F)(F)F)nc4cc(Cl)ccc34)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CC1OC(O)CC(C)(NCCCCNc2cc(C(F)(F)F)nc3cc(Cl)ccc23)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)O)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

Other Identifiers

Properties
HBA: 35 RingCount: 14
HBD: 21 FractionCSP3: 0.41
AlogP: 4.85 Num_rotatable_bonds: 20
MolWt: 1749.98 Num_heavy_atoms: 121
TPSA: 541.42 NumAromaticRings: 7

Unique Aglycone
AD00637
Formula: C55H52O17N8Cl2

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)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 25 RingCount: 10
HBD: 16 FractionCSP3: 0.28
AlogP: 2.4 Num_rotatable_bonds: 8
MolWt: 1143.94 Num_heavy_atoms: 80
TPSA: 406.86 NumAromaticRings: 5
AD12635
Formula: C22H27O3N3F3Cl

Smiles:
CC1OC(O)CC(C)(NCCCCNc2cc(C(F)(F)F)nc3cc(Cl)ccc23)C1O
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.57
AlogP: 3.94 Num_rotatable_bonds: 7
MolWt: 461.91 Num_heavy_atoms: 31
TPSA: 86.64 NumAromaticRings: 2

Sugarmoiety
SD00003

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