Glycoside
GD157844
Name:
3-[3-(benzyloxy)-4,5-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-2-(hydroxymethyl)-3aH-indol-3a-ideFormula:
C22H22O8NSmiles:
O=C(Oc1c(CO)[n-]c2ccccc12)C1OC(O)(CO)C(O)C1OCc1ccccc1Aglycone:
O=COc1c(CO)[n-]c2ccccc12.OCc1ccccc1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 428.42 | Num_heavy_atoms: | 31 |
| TPSA: | 139.78 | NumAromaticRings: | 3 |
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 |
AD50007
Formula: C10H8O3N
Smiles:
O=COc1c(CO)[n-]c2ccccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.18 | Num_heavy_atoms: | 14 |
| TPSA: | 60.63 | NumAromaticRings: | 2 |
