Glycoside
GD151378
Name:
3-[3-(benzyloxy)-4,5-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-5-(3-methylbutyl)-3aH-indol-3a-ideFormula:
C26H30O7NSmiles:
CC(C)CCc1ccc2[n-]cc(OC(=O)C3OC(O)(CO)C(O)C3OCc3ccccc3)c2c1Aglycone:
CC(C)CCc1ccc2[n-]cc(OC=O)c2c1.OCc1ccccc1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 468.53 | Num_heavy_atoms: | 34 |
| TPSA: | 119.55 | 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 |
AD46696
Formula: C14H16O2N
Smiles:
CC(C)CCc1ccc2[n-]cc(OC=O)c2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 230.29 | Num_heavy_atoms: | 17 |
| TPSA: | 40.4 | NumAromaticRings: | 2 |
