Glycoside
...
GD143715

Name:
peonin

Formula:
C28H35O16

Smiles:
COc1cc(C2Oc3cc(O)cc(OC4OC(C[OH2+])C(O)C(O)C4O)c3C=C2OC2OC(CO)C(O)C(O)C2O)ccc1O

Aglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)ccc1O

Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 11 FractionCSP3: 0.5
AlogP: -2.69 Num_rotatable_bonds: 8
MolWt: 627.57 Num_heavy_atoms: 44
TPSA: 260.35 NumAromaticRings: 2

Unique Aglycone
AD45387
Formula: C16H14O6

Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)ccc1O
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.12
AlogP: 2.84 Num_rotatable_bonds: 2
MolWt: 302.28 Num_heavy_atoms: 22
TPSA: 99.38 NumAromaticRings: 2

Sugarmoiety
SD04646

OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O