Glycoside
GD139590
Name:
6-({4a-[(acetyloxy)methyl]-4,5,10-trihydroxy-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,13,14b-icosahydropicen-3-yl}oxy)-5-hydroxy-4-[(2-methylbut-2-enoyl)oxy]oxan-3-yl 2-methylbut-2-enoateFormula:
C47H72O12Smiles:
CC=C(C)C(=O)OC1COC(OC2C(O)C3(COC(C)=O)C(O)CC4(C)C(=CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1OC(=O)C(C)=CCAglycone:
CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2O.CC=C(C)C(=O)O.CC=C(C)C(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 6.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 829.08 | Num_heavy_atoms: | 59 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD46865
Formula: C32H52O6
Smiles:
CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 532.76 | Num_heavy_atoms: | 38 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
