Glycoside
...
GD017307

Name:
PAEONIVAYIN

Formula:
C30H32O12

Smiles:
C[C@@]12C[C@H](O)[C@@H]3C[C@@]1(O[C@@H]1O[C@H](COC(=O)c4ccccc4)[C@H](O)[C@H](O)[C@H]1O)[C@@]3(COC(=O)c1ccccc1)C(=O)O2

Aglycone:
CC12CC(O)C3CC1(O)C3(COC(=O)c1ccccc1)C(=O)O2.COC(=O)c1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 4 FractionCSP3: 0.5
AlogP: 0.35 Num_rotatable_bonds: 8
MolWt: 584.57 Num_heavy_atoms: 42
TPSA: 178.28 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
AD06860
Formula: C17H18O6

Smiles:
CC12CC(O)C3CC1(O)C3(COC(=O)c1ccccc1)C(=O)O2
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.53
AlogP: 0.66 Num_rotatable_bonds: 3
MolWt: 318.33 Num_heavy_atoms: 23
TPSA: 93.06 NumAromaticRings: 1

Sugarmoiety
SD00017

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