Glycoside
GD128068
Name:
[3,4,5-tris(acetyloxy)-6-{[4,5-bis(acetyloxy)-2-(benzyloxy)-6-methyloxan-3-yl]oxy}oxan-2-yl]methyl acetateFormula:
C31H40O16Smiles:
CC(=O)OCC1OC(OC2C(OCc3ccccc3)OC(C)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.OCc1ccccc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.61 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 12 |
| MolWt: | 668.65 | Num_heavy_atoms: | 47 |
| TPSA: | 194.72 | NumAromaticRings: | 1 |
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 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
