Glycoside

GD155201
Name:
[5-(acetyloxy)-6-{[7-(acetyloxy)-5-methyl-3,8-dimethylidene-2-oxo-dodecahydroazuleno[6,5-b]furan-5-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl acetateFormula:
C27H36O12Smiles:
C=C1C(=O)OC2CC(=C)C3C(OC(C)=O)CC(C)(OC4OC(COC(C)=O)C(O)C(O)C4OC(C)=O)C3CC12Aglycone:
C=C1C(=O)OC2CC(=C)C3C(OC(C)=O)CC(C)(O)C3CC12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.7 |
AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
MolWt: | 552.57 | Num_heavy_atoms: | 39 |
TPSA: | 164.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 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 |
AD61575
Formula: C17H22O5
Smiles:
C=C1C(=O)OC2CC(=C)C3C(OC(C)=O)CC(C)(O)C3CC12HBA: | 5 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.65 |
AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
MolWt: | 306.36 | Num_heavy_atoms: | 22 |
TPSA: | 72.83 | NumAromaticRings: | 0 |