Glycoside
...
GD037422

Name:
Quercetagetin 7-(6''-(E)-Caffeoylglucoside)

Formula:
C30H26O16

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c(O)c2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 10 FractionCSP3: 0.2
AlogP: 0.84 Num_rotatable_bonds: 7
MolWt: 642.52 Num_heavy_atoms: 46
TPSA: 277.27 NumAromaticRings: 4

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
AD16484
Formula: C15H10O8

Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12
HBA: 8 RingCount: 3
HBD: 6 FractionCSP3: 0.0
AlogP: 1.69 Num_rotatable_bonds: 1
MolWt: 318.24 Num_heavy_atoms: 23
TPSA: 151.59 NumAromaticRings: 3

Sugarmoiety
SD00017

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