Glycoside
...
GD120809

Name:
Glochidacuminoside C

Formula:
C22H32O10

Smiles:
O=C(CC1=CCC(O)CC1)OCC1OC(OC(=O)CC2=CCC(O)CC2)C(O)C(O)C1O

Aglycone:
COC(=O)CC1=CCC(O)CC1.O=C(O)CC1=CCC(O)CC1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.73
AlogP: -0.4 Num_rotatable_bonds: 7
MolWt: 456.49 Num_heavy_atoms: 32
TPSA: 162.98 NumAromaticRings: 0

Unique Aglycone
AD48081
Formula: C9H14O3

Smiles:
COC(=O)CC1=CCC(O)CC1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.67
AlogP: 1.02 Num_rotatable_bonds: 2
MolWt: 170.21 Num_heavy_atoms: 12
TPSA: 46.53 NumAromaticRings: 0
AD48574
Formula: C8H12O3

Smiles:
O=C(O)CC1=CCC(O)CC1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.62
AlogP: 0.93 Num_rotatable_bonds: 2
MolWt: 156.18 Num_heavy_atoms: 11
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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