Glycoside
GD146690
Name:
6-{[9-(acetyloxy)-8-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C44H70O15Smiles:
CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CAglycone:
CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 839.03 | Num_heavy_atoms: | 59 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD58797
Formula: C32H52O4
Smiles:
CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 6.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 500.76 | Num_heavy_atoms: | 36 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
