Glycoside
GD140884
Name:
3-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,14,14a,14b-octadecahydropicene-4,8a-dicarboxylic acidFormula:
C41H62O14Smiles:
CC1=C2C3=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C(=O)O)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1CAglycone:
CC1=C2C3=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1CSugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 778.93 | Num_heavy_atoms: | 55 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46134
Formula: C30H44O5
Smiles:
CC1=C2C3=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
