Glycoside
GD118554
Name:
3-[4,5-dihydroxy-5-(hydroxymethyl)-3-(3-hydroxypropoxy)oxolane-2-carbonyloxy]-2-(hydroxymethyl)-5-(3-methylbutyl)-3aH-indol-3a-ideFormula:
C23H32O9NSmiles:
CC(C)CCc1ccc2[n-]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3OCCCO)c2c1Aglycone:
CC(C)CCc1ccc2[n-]c(CO)c(OC=O)c2c1.OCCCOSugarmoiety:
OCCCOOOC(O)(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 466.51 | Num_heavy_atoms: | 33 |
| TPSA: | 160.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD03058
Formula: C3H8O2
Smiles:
OCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
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 |
