Glycoside
GD116347
Name:
2-(hydroxymethyl)-5-(3-methylbutyl)-3-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C20H26O8NSmiles:
CC(C)CCc1ccc2[n-]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1Aglycone:
CC(C)CCc1ccc2[n-]c(CO)c(OC=O)c2c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.43 | Num_heavy_atoms: | 29 |
| TPSA: | 150.78 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
