Glycoside
GD141725
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,4,6a,6b,8a,11,11,14b-octamethyl-docosahydropicene-3-carboxylateFormula:
C37H62O7Smiles:
CC1(C)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(C(=O)OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(C(=O)O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 5.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 618.9 | Num_heavy_atoms: | 44 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD57076
Formula: C31H52O2
Smiles:
CC1(C)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(C(=O)O)C(C)(C)C5CCC43C)C2C1| HBA: | 2 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 8.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.76 | Num_heavy_atoms: | 33 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
