Glycoside
GD116833
Name:
methyl 2-(1-hydroxybut-3-en-2-yl)-12-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H,2H,6H,7H,12H,12bH-indolo[2,3-a]quinolizine-3-carboxylateFormula:
C27H34O8N2Smiles:
C=CC(CO)C1CC2c3c(c4ccccc4n3C3OC(CO)C(O)C(O)C3O)CCN2C=C1C(=O)OCAglycone:
C=CC(CO)C1CC2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.58 | Num_heavy_atoms: | 37 |
| TPSA: | 144.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD46475
Formula: C21H24O3N2
Smiles:
C=CC(CO)C1CC2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.43 | Num_heavy_atoms: | 26 |
| TPSA: | 65.56 | NumAromaticRings: | 2 |
