Glycoside
GD122885
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 13-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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:
C43H70O14Smiles:
COC1C=C2C3CC(C)(C)CCC3(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC2(C)C2(C)CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12Aglycone:
COC1C=C2C3CC(C)(C)CCC3(C(=O)O)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 811.02 | Num_heavy_atoms: | 57 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD49561
Formula: C31H50O4
Smiles:
COC1C=C2C3CC(C)(C)CCC3(C(=O)O)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
