Glycoside
GD122087
Name:
3-[3-(benzyloxy)-4,5-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-2-(hydroxymethyl)-5-(3-methylbutyl)-3aH-indol-3a-ideFormula:
C27H32O8NSmiles:
CC(C)CCc1ccc2[n-]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3OCc3ccccc3)c2c1Aglycone:
CC(C)CCc1ccc2[n-]c(CO)c(OC=O)c2c1.OCc1ccccc1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 498.55 | Num_heavy_atoms: | 36 |
| 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 |
AD46182
Formula: C15H18O3N
Smiles:
CC(C)CCc1ccc2[n-]c(CO)c(OC=O)c2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 260.31 | Num_heavy_atoms: | 19 |
| TPSA: | 60.63 | NumAromaticRings: | 2 |
