Glycoside
GD123597
Name:
9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-docosahydropicene-4a-carboxylic acidFormula:
C35H58O8Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 606.84 | Num_heavy_atoms: | 43 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD48126
Formula: C30H50O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 6.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
