Glycoside
...
GD155197

Name:
Ustilagic Acid C

Formula:
C24H44O11

Smiles:
CC(=O)OCC1OC(OCC(O)CCCCCCCCCCCCC(O)C(=O)O)C(O)C(O)C1O

Aglycone:
COC(C)=O.O=C(O)C(O)CCCCCCCCCCCCC(O)CO

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

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 6 FractionCSP3: 0.92
AlogP: 0.86 Num_rotatable_bonds: 19
MolWt: 508.61 Num_heavy_atoms: 35
TPSA: 183.21 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD55199
Formula: C16H32O5

Smiles:
O=C(O)C(O)CCCCCCCCCCCCC(O)CO
HBA: 5 RingCount: 0
HBD: 4 FractionCSP3: 0.94
AlogP: 2.47 Num_rotatable_bonds: 15
MolWt: 304.43 Num_heavy_atoms: 21
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00017

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