Glycoside
...
GD002720

Name:
Kaempferol 3-O-(5-O-Acetyl-Alpha-D-Apiofuranosyl)-7-O-Alpha-L-Rhamnopyranoside

Formula:
C28H30O15

Smiles:
CC(=O)OC[C@]1(O)CO[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)[C@H]1O

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

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OCC(O)(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 7 FractionCSP3: 0.43
AlogP: -0.53 Num_rotatable_bonds: 7
MolWt: 606.53 Num_heavy_atoms: 43
TPSA: 235.04 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
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
SD00610

CC1OC(O)C(O)C(O)C1O.OC1OCC(O)(O)C1O