Glycoside
GD136378
Name:
5-(2-methylpropyl)-3-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C18H22O7NSmiles:
CC(C)Cc1ccc2[n-]cc(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1Aglycone:
CC(C)Cc1ccc2[n-]cc(OC=O)c2c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 364.37 | Num_heavy_atoms: | 26 |
| TPSA: | 130.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD55128
Formula: C13H14O2N
Smiles:
CC(C)Cc1ccc2[n-]cc(OC=O)c2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 216.26 | Num_heavy_atoms: | 16 |
| TPSA: | 40.4 | NumAromaticRings: | 2 |
