Glycoside
...
GD107403

Name:
Benzoyloxypaeoniflorin

Formula:
C30H32O13

Smiles:
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@]21O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O

Aglycone:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21O.COC(=O)c1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 9
HBD: 5 FractionCSP3: 0.53
AlogP: 0.21 Num_rotatable_bonds: 8
MolWt: 600.57 Num_heavy_atoms: 43
TPSA: 190.67 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
AD08969
Formula: C17H18O7

Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21O
HBA: 7 RingCount: 7
HBD: 3 FractionCSP3: 0.59
AlogP: 0.52 Num_rotatable_bonds: 3
MolWt: 334.32 Num_heavy_atoms: 24
TPSA: 105.45 NumAromaticRings: 1

Sugarmoiety
SD00017

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