Glycoside
GD116968
Name:
methyl 9-hydroxy-1,4a,8-trimethyl-7-{2-[2-(methylamino)ethoxy]-2-oxoethylidene}-10-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrophenanthrene-1-carboxylateFormula:
C30H47O12NSmiles:
CNCCOC(=O)C=C1CCC2C(C1C)C(O)C(=O)C1C2(C)CCC(OC2OC(CO)C(O)C(O)C2O)C1(C)C(=O)OCAglycone:
CNCCOC(=O)C=C1CCC2C(C1C)C(O)C(=O)C1C2(C)CCC(O)C1(C)C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 613.7 | Num_heavy_atoms: | 43 |
| TPSA: | 201.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD46558
Formula: C24H37O7N
Smiles:
CNCCOC(=O)C=C1CCC2C(C1C)C(O)C(=O)C1C2(C)CCC(O)C1(C)C(=O)OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.56 | Num_heavy_atoms: | 32 |
| TPSA: | 122.16 | NumAromaticRings: | 0 |
