Glycoside
GD132020
Name:
2-[(4,4,4a,6a,6b,8a,11,11,14a,14b-decamethyl-docosahydropicen-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C40H68O7Smiles:
CC(=O)OC1C(OC2CCC3(C)C(C)(CCC4(C)C5(C)CCC6(C)CCC(C)(C)CC6C5CCC43C)C2(C)C)OC(CO)C(O)C1OAglycone:
CC1(C)CCC2(C)CCC3(C)C(CCC4(C)C3(C)CCC3(C)C(C)(C)C(O)CCC34C)C2C1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 7.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 660.98 | Num_heavy_atoms: | 47 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD53455
Formula: C32H56O
Smiles:
CC1(C)CCC2(C)CCC3(C)C(CCC4(C)C3(C)CCC3(C)C(C)(C)C(O)CCC34C)C2C1| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 9.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.8 | Num_heavy_atoms: | 33 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
