Glycoside
GD150463
Name:
2-{[4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-2-methoxyoxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H42O11Smiles:
COC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 14 |
| MolWt: | 626.7 | Num_heavy_atoms: | 45 |
| TPSA: | 145.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
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 |
