Glycoside
GD128661
Name:
5-(3-methylbutyl)-3-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C19H24O7NSmiles:
CC(C)CCc1ccc2[n-]cc(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1Aglycone:
CC(C)CCc1ccc2[n-]cc(OC=O)c2c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.4 | Num_heavy_atoms: | 27 |
| TPSA: | 130.55 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
