Glycoside
GD118041
Name:
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 11-(acetyloxy)-1,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,14a,14b-icosahydropicene-4a-carboxylateFormula:
C44H70O16Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2C=CC2C4C(O)C(C)(C)CCC4(C(=O)OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)CCC23C)C(C)(C)C1OAglycone:
CC(=O)OC1CC2(C)C(CCC3(C)C2C=CC2C4C(O)C(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C)C1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 855.03 | Num_heavy_atoms: | 60 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD47145
Formula: C32H50O6
Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2C=CC2C4C(O)C(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C)C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
