Glycoside
...
GD142025

Name:
Picroroside A

Formula:
C24H30O12

Smiles:
O=C(C=Cc1ccccc1)OCC1OC(OC2OC3CC4C(O)C(O)C(O)(CO3)C24)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccccc1.OC1OC2CC3C(O)C(O)C(O)(CO2)C13

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.62
AlogP: -2.13 Num_rotatable_bonds: 6
MolWt: 510.49 Num_heavy_atoms: 36
TPSA: 184.6 NumAromaticRings: 1

Unique Aglycone
AD00648
Formula: C10H10O2

Smiles:
COC(=O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.1
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 162.19 Num_heavy_atoms: 12
TPSA: 26.3 NumAromaticRings: 1
AD57176
Formula: C9H14O6

Smiles:
OC1OC2CC3C(O)C(O)C(O)(CO2)C13
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 1.0
AlogP: -2.22 Num_rotatable_bonds: 0
MolWt: 218.2 Num_heavy_atoms: 15
TPSA: 99.38 NumAromaticRings: 0

Sugarmoiety
SD00017

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