Glycoside
GD148801
Name:
methyl 2-(1-hydroxybut-3-en-2-yl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,6H,7H,12H,12bH-indolo[2,3-a]quinolizine-3-carboxylateFormula:
C27H34O9N2Smiles:
C=CC(CO)C1CC2c3[nH]c4cccc(OC5OC(CO)C(O)C(O)C5O)c4c3CCN2C=C1C(=O)OCAglycone:
C=CC(CO)C1CC2c3[nH]c4cccc(O)c4c3CCN2C=C1C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.57 | Num_heavy_atoms: | 38 |
| TPSA: | 164.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD59527
Formula: C21H24O4N2
Smiles:
C=CC(CO)C1CC2c3[nH]c4cccc(O)c4c3CCN2C=C1C(=O)OC| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.43 | Num_heavy_atoms: | 27 |
| TPSA: | 85.79 | NumAromaticRings: | 2 |
