Glycoside
...
GD031826

Name:
SCOLOCHINENOSIDE D

Formula:
C34H30O13

Smiles:
O=C(OC[C@@H]1O[C@H](Oc2ccc(O)cc2COC(=O)c2cccc(O)c2O)[C@H](OC(=O)c2ccccc2)[C@H](O)[C@H]1O)c1ccccc1

Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(OCc1cc(O)ccc1O)c1cccc(O)c1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.21
AlogP: 3.07 Num_rotatable_bonds: 10
MolWt: 646.6 Num_heavy_atoms: 47
TPSA: 198.51 NumAromaticRings: 4

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
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD20476
Formula: C14H12O6

Smiles:
O=C(OCc1cc(O)ccc1O)c1cccc(O)c1O
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.07
AlogP: 1.87 Num_rotatable_bonds: 3
MolWt: 276.24 Num_heavy_atoms: 20
TPSA: 107.22 NumAromaticRings: 2

Sugarmoiety
SD00017

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