Glycoside
...
GD129960

Name:
cyanidin 3-(6-p-caffeoyl)glucoside

Formula:
C30H29O14

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2=Cc3c(O)cc([OH2+])cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 10 FractionCSP3: 0.23
AlogP: 1.21 Num_rotatable_bonds: 7
MolWt: 613.55 Num_heavy_atoms: 44
TPSA: 238.73 NumAromaticRings: 3

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD45250
Formula: C15H13O6

Smiles:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1
HBA: 6 RingCount: 3
HBD: 6 FractionCSP3: 0.07
AlogP: 2.27 Num_rotatable_bonds: 1
MolWt: 289.26 Num_heavy_atoms: 21
TPSA: 113.05 NumAromaticRings: 2

Sugarmoiety
SD00017

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