Glycoside
...
GD013486

Name:
Kaempferol 3-(2'',3''-Diacetyl-4''-P-Coumarylrhamnoside

Formula:
C34H30O14

Smiles:
CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@@H](C)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@H]1OC(C)=O

Aglycone:
O=C(O)C=Cc1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 4 FractionCSP3: 0.24
AlogP: 3.89 Num_rotatable_bonds: 8
MolWt: 662.6 Num_heavy_atoms: 48
TPSA: 208.49 NumAromaticRings: 4

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD00022
Formula: C15H10O6

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3

Sugarmoiety
SD01532

CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O