Glycoside
...
GD006645

Name:
None

Formula:
C42H42O20NCl

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](NC(=O)OCc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)[C@H](O)[C@H](C)O1

Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(O)c(Cl)c2)C(O)C(C)O1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 10 FractionCSP3: 0.44
AlogP: -0.11 Num_rotatable_bonds: 11
MolWt: 904.23 Num_heavy_atoms: 63
TPSA: 334.83 NumAromaticRings: 3

Unique Aglycone
AD05479
Formula: C36H34O14NCl

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(O)c(Cl)c2)C(O)C(C)O1
HBA: 15 RingCount: 6
HBD: 7 FractionCSP3: 0.37
AlogP: 2.33 Num_rotatable_bonds: 8
MolWt: 728.1 Num_heavy_atoms: 51
TPSA: 238.61 NumAromaticRings: 3

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O