Glycoside
GD140733
Name:
2-(hydroxymethyl)-5-(2-methylpropyl)-1H-indol-3-yl 3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C19H25O8NSmiles:
CC(C)Cc1ccc2[nH]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1Aglycone:
CC(C)Cc1ccc2[nH]c(CO)c(OC=O)c2c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 395.41 | Num_heavy_atoms: | 28 |
| TPSA: | 152.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD56739
Formula: C14H17O3N
Smiles:
CC(C)Cc1ccc2[nH]c(CO)c(OC=O)c2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 247.29 | Num_heavy_atoms: | 18 |
| TPSA: | 62.32 | NumAromaticRings: | 2 |
