Glycoside
GD154980
Name:
4,5-bis(acetyloxy)-6-{[19-(acetyloxy)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0³,¹².0â¶,¹¹.0¹â¶,²¹]tricos-1(23)-en-8-yl]oxy}oxan-3-yl 3-[4-(acetyloxy)phenyl]prop-2-enoateFormula:
C52H72O12Smiles:
CC(=O)Oc1ccc(C=CC(=O)OC2COC(OC3CCC4(C)C5CCC6C(=CCC7C(C)(C)C(OC(C)=O)CCC67C)CC5(C)CCC4C3(C)C)C(OC(C)=O)C2OC(C)=O)cc1Aglycone:
CC(=O)OC1CCC2(C)C3CCC4C(C)(CCC5C(C)(C)C(O)CCC45C)CC3=CCC2C1(C)C.CC(=O)Oc1ccc(C=CC(=O)O)cc1Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 9.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 889.14 | Num_heavy_atoms: | 64 |
| TPSA: | 149.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD07617
Formula: C11H10O4
Smiles:
CC(=O)Oc1ccc(C=CC(=O)O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
AD48781
Formula: C32H52O3
Smiles:
CC(=O)OC1CCC2(C)C3CCC4C(C)(CCC5C(C)(C)C(O)CCC45C)CC3=CCC2C1(C)C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 7.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.77 | Num_heavy_atoms: | 35 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
