Glycoside
GD139883
Name:
3,4-dihydroxy-6-{[10-hydroxy-8a-(methoxycarbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-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-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C42H66O14Smiles:
COC(=O)C12CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2Aglycone:
COC(=O)C12CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2Sugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 794.98 | Num_heavy_atoms: | 56 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD56414
Formula: C31H50O4
Smiles:
COC(=O)C12CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
