Glycoside
GD031093
Name:
NoneFormula:
C48H76O16Smiles:
CO[C@H]1C[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@]6(O)[C@H]5C[C@H](OC(=O)C=C(C)C(C)C)[C@]5(C)[C@](O)(C(C)=O)CC[C@]65O)C4)C[C@H]3OC)O[C@H]2C)O[C@@H](C)[C@H]1OAglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12CSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(O)CC3OC)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 909.12 | Num_heavy_atoms: | 64 |
| TPSA: | 218.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD11904
Formula: C28H42O7
Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
