Glycoside
GD131255
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,6a-dihydroxy-1,2,6b,9,9,12a-hexamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C40H64O14Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(O)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)OSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 768.94 | Num_heavy_atoms: | 54 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD53181
Formula: C29H46O5
Smiles:
CC1CCC2(C(=O)O)CCC3(O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
