Glycoside
GD154744
Name:
6-{[3a-carboxy-8-formyl-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C41H62O14Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C=O)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C12Sugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 778.93 | Num_heavy_atoms: | 55 |
| TPSA: | 229.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD60912
Formula: C30H46O4
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
