Glycoside

GD132061
Name:
[4,5-bis(acetyloxy)-6-[(2-hydroxy-2,6-dimethyl-10-methylidenedodeca-6,11-dien-3-yl)oxy]-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C41H60O19Smiles:
C=CC(=C)CCC=C(C)CCC(OC1OC(COC(C)=O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O)C(C)(C)OAglycone:
C=CC(=C)CCC=C(C)CCC(O)C(C)(C)O.COC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 19 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.68 |
AlogP: | 3.01 | Num_rotatable_bonds: | 21 |
MolWt: | 856.91 | Num_heavy_atoms: | 60 |
TPSA: | 241.25 | 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 |
AD53467
Formula: C15H26O2
Smiles:
C=CC(=C)CCC=C(C)CCC(O)C(C)(C)OHBA: | 2 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 0.6 |
AlogP: | 3.37 | Num_rotatable_bonds: | 8 |
MolWt: | 238.37 | Num_heavy_atoms: | 17 |
TPSA: | 40.46 | NumAromaticRings: | 0 |