Glycoside
...
GD118898

Name:
peonidin 3-(6''-p-coumarylglucoside)

Formula:
C31H31O13

Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(COC(=O)C=Cc3ccc([OH2+])cc3)C(O)C(O)C2O)ccc1O

Aglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)ccc1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.26
AlogP: 1.81 Num_rotatable_bonds: 8
MolWt: 611.58 Num_heavy_atoms: 44
TPSA: 207.5 NumAromaticRings: 3

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
AD45655
Formula: C10H11O3

Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 179.19 Num_heavy_atoms: 13
TPSA: 49.2 NumAromaticRings: 1

Sugarmoiety
SD00017

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