Glycoside

GD145424
Name:
[3,4,5-tris(acetyloxy)-6-({3,6-dimethyl-9-methylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-6-yl}oxy)oxan-2-yl]methyl acetateFormula:
C29H40O12Smiles:
C=C1CCC2C1C1OC(=O)C(C)C1CCC2(C)OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
C=C1CCC2C1C1OC(=O)C(C)C1CCC2(C)O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 0 | FractionCSP3: | 0.76 |
AlogP: | 2.4 | Num_rotatable_bonds: | 7 |
MolWt: | 580.63 | Num_heavy_atoms: | 41 |
TPSA: | 149.96 | 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 |
AD49260
Formula: C15H22O3
Smiles:
C=C1CCC2C1C1OC(=O)C(C)C1CCC2(C)OHBA: | 3 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.8 |
AlogP: | 2.29 | Num_rotatable_bonds: | 0 |
MolWt: | 250.34 | Num_heavy_atoms: | 18 |
TPSA: | 46.53 | NumAromaticRings: | 0 |