Glycoside
...
GD021106

Name:
None

Formula:
C32H36O13

Smiles:
COc1ccc(C(=O)OC[C@]23C4O[C@@]5(OC)C[C@@](C)(O4)[C@@]2(O[C@@H]2O[C@H](COC(=O)c4ccccc4)[C@H](O)[C@H](O)[C@H]2O)C[C@H]53)cc1

Aglycone:
COC(=O)c1ccccc1.COc1ccc(C(=O)OCC23C4OC5(OC)CC(C)(O4)C2(O)CC53)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 9
HBD: 3 FractionCSP3: 0.56
AlogP: 1.17 Num_rotatable_bonds: 10
MolWt: 628.63 Num_heavy_atoms: 45
TPSA: 168.67 NumAromaticRings: 2

Unique Aglycone
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD14478
Formula: C19H22O7

Smiles:
COc1ccc(C(=O)OCC23C4OC5(OC)CC(C)(O4)C2(O)CC53)cc1
HBA: 7 RingCount: 7
HBD: 1 FractionCSP3: 0.63
AlogP: 1.48 Num_rotatable_bonds: 5
MolWt: 362.38 Num_heavy_atoms: 26
TPSA: 83.45 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O