Glycoside
...
GD142420

Name:
Picramnioside G

Formula:
C27H24O8

Smiles:
Cc1cc(O)c2c(c1)C(C1OCC(OC(=O)c3ccccc3)C(O)C1O)c1cccc(O)c1C2=O

Aglycone:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O.O=C(O)c1ccccc1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.26
AlogP: 2.43 Num_rotatable_bonds: 3
MolWt: 476.48 Num_heavy_atoms: 35
TPSA: 133.52 NumAromaticRings: 3

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD00259
Formula: C15H12O3

Smiles:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.13
AlogP: 2.54 Num_rotatable_bonds: 0
MolWt: 240.26 Num_heavy_atoms: 18
TPSA: 57.53 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O