Glycoside
GD133457
Name:
methyl 10'-(hydroxymethyl)-3-oxo-1'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,1',3,4'a,5',5'a,7',8',10',10'a-decahydrospiro[indole-2,6'-pyrano[3,4-f]indolizine]-4'-carboxylateFormula:
C27H34O11N2Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC1N(CCC13Nc1ccccc1C3=O)C2COAglycone:
COC(=O)C1=COC(O)C2C1CC1N(CCC13Nc1ccccc1C3=O)C2COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 562.57 | Num_heavy_atoms: | 40 |
| TPSA: | 187.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD54016
Formula: C21H24O6N2
Smiles:
COC(=O)C1=COC(O)C2C1CC1N(CCC13Nc1ccccc1C3=O)C2CO| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 400.43 | Num_heavy_atoms: | 29 |
| TPSA: | 108.33 | NumAromaticRings: | 1 |
