Glycoside
...
GD121751

Name:
delphinidin 3-caffeylglucoside

Formula:
C30H29O15

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2=Cc3c(O)cc([OH2+])cc3OC2c2cc(O)c(O)c(O)c2)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.OC1=Cc2c(O)cc([OH2+])cc2OC1c1cc(O)c(O)c(O)c1

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 11 FractionCSP3: 0.23
AlogP: 0.91 Num_rotatable_bonds: 7
MolWt: 629.55 Num_heavy_atoms: 45
TPSA: 258.96 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
AD45257
Formula: C15H13O7

Smiles:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1cc(O)c(O)c(O)c1
HBA: 7 RingCount: 3
HBD: 7 FractionCSP3: 0.07
AlogP: 1.98 Num_rotatable_bonds: 1
MolWt: 305.26 Num_heavy_atoms: 22
TPSA: 133.28 NumAromaticRings: 2

Sugarmoiety
SD00017

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