Glycoside
...
GD121375

Name:
4'-o-galloylpaeoniflorin

Formula:
C30H32O15

Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(CO)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O

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

Sugarmoiety:
OCC1OC(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
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 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
SD00003

OCC1OC(O)C(O)C(O)C1O