Glycoside
GD131491
Name:
12a-cyclohexyl-11-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9-tetramethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C40H64O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C6CCCCC6)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C6CCCCC6)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 704.94 | Num_heavy_atoms: | 50 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD53269
Formula: C35H56O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C6CCCCC6)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 572.83 | Num_heavy_atoms: | 41 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
