Glycoside
GD139835
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 9-(acetyloxy)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C37H58O11Smiles:
CC(=O)OC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC21CAglycone:
CC(=O)OC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD56395
Formula: C31H48O6
Smiles:
CC(=O)OC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 516.72 | Num_heavy_atoms: | 37 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
