Glycoside
...
GD120919

Name:
Coccinoside A

Formula:
C23H24O12

Smiles:
CC(=O)OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)CC3=O)C(O)C(O)C1O

Aglycone:
COC(C)=O.O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.39
AlogP: 0.26 Num_rotatable_bonds: 5
MolWt: 492.43 Num_heavy_atoms: 35
TPSA: 192.44 NumAromaticRings: 2

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
AD00087
Formula: C15H12O6

Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.13
AlogP: 2.22 Num_rotatable_bonds: 1
MolWt: 288.26 Num_heavy_atoms: 21
TPSA: 107.22 NumAromaticRings: 2

Sugarmoiety
SD00017

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