Glycoside
GD132259
Name:
10-{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}-1-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C37H58O9Smiles:
CC(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(O)C(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)OCC(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD01792
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1O| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
