Glycoside
GD132354
Name:
10-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-4a,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acidFormula:
C42H66O16Smiles:
COC(=O)C1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
COC(=O)C1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 826.97 | Num_heavy_atoms: | 58 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD53586
Formula: C31H48O7
Smiles:
COC(=O)C1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 532.72 | Num_heavy_atoms: | 38 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
