Glycoside
...
GD158301

Name:
Mearnsetin 3-O-(4''-O-Malonyl)-Alpha-L-Rhamnopyranoside

Formula:
C25H24O15

Smiles:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(OC(=O)CC(=O)O)C(O)C2O)cc1O

Aglycone:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O.O=C(O)CC(=O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.32
AlogP: 0.52 Num_rotatable_bonds: 7
MolWt: 564.45 Num_heavy_atoms: 40
TPSA: 242.88 NumAromaticRings: 3

Unique Aglycone
AD09774
Formula: C16H12O8

Smiles:
COc1c(O)cc(-c2oc3cc(O)cc(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
AD13454
Formula: C3H4O4

Smiles:
O=C(O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.33
AlogP: -0.45 Num_rotatable_bonds: 2
MolWt: 104.06 Num_heavy_atoms: 7
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O