Glycoside
...
GD011224

Name:
None

Formula:
C34H30O11N2Cl2

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)C=Cc4ccc(O)c(Cl)c4)c(=O)oc3c2Cl)OC1(C)C

Aglycone:
Cc1ccc(C(=O)O)[nH]1.O=C(C=Cc1ccc(O)c(Cl)c1)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.28
AlogP: 4.91 Num_rotatable_bonds: 8
MolWt: 689.5 Num_heavy_atoms: 47
TPSA: 189.78 NumAromaticRings: 4

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD08600
Formula: C20H11O6NCl2

Smiles:
O=C(C=Cc1ccc(O)c(Cl)c1)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 3.87 Num_rotatable_bonds: 3
MolWt: 408.19 Num_heavy_atoms: 27
TPSA: 120.0 NumAromaticRings: 3

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C