Glycoside
GD157720
Name:
(6-{[3,6-bis(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C28H30O13Smiles:
CC(=O)OCC1OC(OC2OC(c3ccc4c(c3)OCO4)C3COC(c4ccc5c(c4)OCO5)C23)C(O)C(O)C1OAglycone:
COC(C)=O.OC1OC(c2ccc3c(c2)OCO3)C2COC(c3ccc4c(c3)OCO4)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 574.54 | Num_heavy_atoms: | 41 |
| TPSA: | 160.83 | NumAromaticRings: | 2 |
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 |
AD56960
Formula: C20H18O7
Smiles:
OC1OC(c2ccc3c(c2)OCO3)C2COC(c3ccc4c(c3)OCO4)C12| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 75.61 | NumAromaticRings: | 2 |
