Glycoside
GD118310
Name:
11-(benzyloxy)-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-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:
C42H62O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(OCc6ccccc6)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(OCc6ccccc6)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 726.95 | Num_heavy_atoms: | 52 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD47292
Formula: C37H54O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(OCc6ccccc6)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.83 | Num_heavy_atoms: | 43 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
