Glycoside
...
GD136153

Name:
Haenkeanoside

Formula:
C26H32O13

Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)C2C(C)OC(O)CC12

Aglycone:
COC(=O)C1=COC(O)C2C(C)OC(O)CC12.COC(=O)C=Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.54
AlogP: -0.45 Num_rotatable_bonds: 7
MolWt: 552.53 Num_heavy_atoms: 39
TPSA: 190.67 NumAromaticRings: 1

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD00332
Formula: C11H16O6

Smiles:
COC(=O)C1=COC(O)C2C(C)OC(O)CC12
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.73
AlogP: -0.25 Num_rotatable_bonds: 1
MolWt: 244.24 Num_heavy_atoms: 17
TPSA: 85.22 NumAromaticRings: 0

Sugarmoiety
SD00017

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