Glycoside
...
GD150349

Name:
Quercetagetin 4'-Methyl Ether 7-(6-(E)-Caffeylglucoside)

Formula:
C31H28O16

Smiles:
COc1ccc(-c2oc3cc(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)c(O)c(O)c3c(=O)c2O)cc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1ccc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2O)cc1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 9 FractionCSP3: 0.23
AlogP: 1.15 Num_rotatable_bonds: 8
MolWt: 656.55 Num_heavy_atoms: 47
TPSA: 266.27 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
AD60065
Formula: C16H12O8

Smiles:
COc1ccc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2O)cc1O
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.06
AlogP: 2.0 Num_rotatable_bonds: 2
MolWt: 332.26 Num_heavy_atoms: 24
TPSA: 140.59 NumAromaticRings: 3

Sugarmoiety
SD00017

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