Glycoside
GD116391
Name:
6-(benzyloxy)-5-({7-hydroxy-2,2,6-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-4-yl}oxy)-2-methyloxane-3,4-diolFormula:
C22H32O9Smiles:
CC1OC(OCc2ccccc2)C(OC2OC(C)C(O)C3OC(C)(C)OC23)C(O)C1OAglycone:
CC1OC(O)C2OC(C)(C)OC2C1O.OCc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.49 | Num_heavy_atoms: | 31 |
| TPSA: | 116.07 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD07097
Formula: C9H16O5
Smiles:
CC1OC(O)C2OC(C)(C)OC2C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 204.22 | Num_heavy_atoms: | 14 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
