Glycoside
...
GD025240

Name:
None

Formula:
C33H31O10N2Cl

Smiles:
CO[C@@H]1[C@H](O)[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)C=Cc4ccccc4)c(=O)oc3c2Cl)OC1(C)C

Aglycone:
Cc1ccc(C(=O)O)[nH]1.O=C(C=Cc1ccccc1)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 4 FractionCSP3: 0.28
AlogP: 4.56 Num_rotatable_bonds: 8
MolWt: 639.06 Num_heavy_atoms: 45
TPSA: 169.55 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
AD11489
Formula: C19H12O5NCl

Smiles:
O=C(C=Cc1ccccc1)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 3.51 Num_rotatable_bonds: 3
MolWt: 357.75 Num_heavy_atoms: 25
TPSA: 99.77 NumAromaticRings: 3

Sugarmoiety
SD00066

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