Glycoside
...
GD116315

Name:
Arbortristoside E

Formula:
C27H34O13

Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)C=Cc3ccc(OC)cc3)C(O)C(O)C2O)C2C(C)C(O)C(O)C12

Aglycone:
COC(=O)C1=COC(O)C2C(C)C(O)C(O)C12.COC(=O)C=Cc1ccc(OC)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.56
AlogP: -0.91 Num_rotatable_bonds: 8
MolWt: 566.56 Num_heavy_atoms: 40
TPSA: 190.67 NumAromaticRings: 1

Unique Aglycone
AD08154
Formula: C11H16O6

Smiles:
COC(=O)C1=COC(O)C2C(C)C(O)C(O)C12
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.73
AlogP: -1.0 Num_rotatable_bonds: 1
MolWt: 244.24 Num_heavy_atoms: 17
TPSA: 96.22 NumAromaticRings: 0
AD11989
Formula: C11H12O3

Smiles:
COC(=O)C=Cc1ccc(OC)cc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.18
AlogP: 1.88 Num_rotatable_bonds: 3
MolWt: 192.21 Num_heavy_atoms: 14
TPSA: 35.53 NumAromaticRings: 1

Sugarmoiety
SD00017

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