Glycoside
GD132927
Name:
9-[(acetyloxy)methyl]-1,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-tris(acetyloxy)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-carboxylic acidFormula:
C43H64O12Smiles:
CC(=O)OCC1(C)C(OC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)O)CCC21CAglycone:
CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)O)CCC21CSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 6.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 772.97 | Num_heavy_atoms: | 55 |
| TPSA: | 160.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD51582
Formula: C32H50O5
Smiles:
CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)O)CCC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
