Glycoside
GD131428
Name:
3,4-dihydroxy-6-{[4-(hydroxymethyl)-11-(methoxycarbonyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C43H68O15Smiles:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
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: | 2.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 825.0 | Num_heavy_atoms: | 58 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD53246
Formula: C31H50O4
Smiles:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
