Glycoside
...
GD000716

Name:
GALLOYLPAEONIFLORIN

Formula:
C30H32O15

Smiles:
C[C@@]12C[C@]3(O)O[C@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O.COC(=O)c1cc(O)c(O)c(O)c1

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

Other Identifiers

Properties
HBA: 15 RingCount: 9
HBD: 7 FractionCSP3: 0.53
AlogP: -0.38 Num_rotatable_bonds: 8
MolWt: 632.57 Num_heavy_atoms: 45
TPSA: 231.13 NumAromaticRings: 2

Unique Aglycone
AD00121
Formula: C8H8O5

Smiles:
COC(=O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 0.59 Num_rotatable_bonds: 1
MolWt: 184.15 Num_heavy_atoms: 13
TPSA: 86.99 NumAromaticRings: 1
AD00766
Formula: C17H18O6

Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O
HBA: 6 RingCount: 7
HBD: 2 FractionCSP3: 0.59
AlogP: 0.82 Num_rotatable_bonds: 3
MolWt: 318.33 Num_heavy_atoms: 23
TPSA: 85.22 NumAromaticRings: 1

Sugarmoiety
SD00017

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