Glycoside
GD117289
Name:
4,4,6a,6b,9,9,12a-heptamethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-docosahydropicene-2,3,8,10-tetrolFormula:
C34H58O9Smiles:
CC1(C)C(O)C(O)CC2C1C(OC1OCC(O)C(O)C1O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21CAglycone:
CC1(C)C(O)C(O)CC2C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 610.83 | Num_heavy_atoms: | 43 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD46745
Formula: C29H50O5
Smiles:
CC1(C)C(O)C(O)CC2C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 478.71 | Num_heavy_atoms: | 34 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
