Glycoside
GD121236
Name:
methyl 9-hydroxy-7-{[(2-hydroxyethyl)(methyl)carbamoyl]methylidene}-1,4a,8-trimethyl-10-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrophenanthrene-1-carboxylateFormula:
C30H47O12NSmiles:
COC(=O)C1(C)C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C3CCC(=CC(=O)N(C)CCO)C(C)C3C(O)C(=O)C21Aglycone:
COC(=O)C1(C)C(O)CCC2(C)C3CCC(=CC(=O)N(C)CCO)C(C)C3C(O)C(=O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 613.7 | Num_heavy_atoms: | 43 |
| TPSA: | 203.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD48780
Formula: C24H37O7N
Smiles:
COC(=O)C1(C)C(O)CCC2(C)C3CCC(=CC(=O)N(C)CCO)C(C)C3C(O)C(=O)C21| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 451.56 | Num_heavy_atoms: | 32 |
| TPSA: | 124.37 | NumAromaticRings: | 0 |
