Glycoside
...
GD157589

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

Formula:
C31H31O14

Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(COC(=O)C=Cc3ccc([OH2+])cc3)C(O)C(O)C2O)cc(O)c1O

Aglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 9 FractionCSP3: 0.26
AlogP: 1.51 Num_rotatable_bonds: 8
MolWt: 627.58 Num_heavy_atoms: 45
TPSA: 227.73 NumAromaticRings: 3

Unique Aglycone
AD45274
Formula: C16H14O7

Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.12
AlogP: 2.55 Num_rotatable_bonds: 2
MolWt: 318.28 Num_heavy_atoms: 23
TPSA: 119.61 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