Glycoside
...
GD122944

Name:
Picroroside C

Formula:
C33H36O13

Smiles:
O=C(C=Cc1ccccc1)OCC1OC(OC2OC3CC4C(O)C(OC(=O)C=Cc5ccccc5)C(O)(CO3)C24)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccccc1.O=C(C=Cc1ccccc1)OC1C(O)C2CC3OCC1(O)C2C(O)O3

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

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 5 FractionCSP3: 0.45
AlogP: 0.13 Num_rotatable_bonds: 9
MolWt: 640.64 Num_heavy_atoms: 46
TPSA: 190.67 NumAromaticRings: 2

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
AD49584
Formula: C18H20O7

Smiles:
O=C(C=Cc1ccccc1)OC1C(O)C2CC3OCC1(O)C2C(O)O3
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.5
AlogP: 0.04 Num_rotatable_bonds: 3
MolWt: 348.35 Num_heavy_atoms: 25
TPSA: 105.45 NumAromaticRings: 1

Sugarmoiety
SD00017

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