Glycoside
...
GD002398

Name:
None

Formula:
C82H104O24N10Cl2

Smiles:
CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@]3(C)NC(=O)[C@@H](NC(=O)[C@@H]5NC(=O)[C@@H](CC(N)=O)NC(=O)[C@](C)(NC(=O)[C@H](CC(C)C)NC)[C@@H](O)c5ccc(c(Cl)c5)O4)c4ccc(O)c(c4)-c4c(O)cc(O)cc4[C@@H](C(=O)O)NC3=O)O[C@H](CO)[C@H](O)[C@H]2O)O[C@H](C)C1O

Aglycone:
CCCCCCCCCCNCCNC1(C)CC(O)OC(C)C1O.CNC(CC(C)C)C(=O)NC1(C)C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C)(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: 34 RingCount: 12
HBD: 21 FractionCSP3: 0.53
AlogP: 4.25 Num_rotatable_bonds: 26
MolWt: 1660.66 Num_heavy_atoms: 116
TPSA: 528.53 NumAromaticRings: 5

Unique Aglycone
AD02294
Formula: C19H40O3N2

Smiles:
CCCCCCCCCCNCCNC1(C)CC(O)OC(C)C1O
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: 2.55 Num_rotatable_bonds: 13
MolWt: 344.54 Num_heavy_atoms: 24
TPSA: 73.75 NumAromaticRings: 0
AD02295
Formula: C57H56O17N8Cl2

Smiles:
CNC(CC(C)C)C(=O)NC1(C)C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C)(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: 0.31
AlogP: 3.18 Num_rotatable_bonds: 8
MolWt: 1172.0 Num_heavy_atoms: 82
TPSA: 406.86 NumAromaticRings: 5

Sugarmoiety
SD00003

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