Glycoside
GD016851
Name:
NoneFormula:
C44H70O10Smiles:
C=C1C[C@@H]2[C@H](CC[C@@H]3C[C@H](O[C@@H]4O[C@H](COC(=O)C(C)(C)C)[C@H](O)[C@H](OC(=O)C(C)(C)C)[C@H]4O)CC[C@]32C)[C@@H]2C[C@@H]3O[C@]4(CC[C@H](C)CO4)[C@H](C)[C@H]3[C@]12CAglycone:
C=C1CC2C(CCC3CC(O)CCC32C)C2CC3OC4(CCC(C)CO4)C(C)C3C12C.CC(C)(C)C(=O)O.COC(=O)C(C)(C)CSugarmoiety:
OCC1OC(O)C(O)OC1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 6.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 759.03 | Num_heavy_atoms: | 54 |
| TPSA: | 129.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD03091
Formula: C5H10O2
Smiles:
CC(C)(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD03093
Formula: C6H12O2
Smiles:
COC(=O)C(C)(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD12081
Formula: C28H44O3
Smiles:
C=C1CC2C(CCC3CC(O)CCC32C)C2CC3OC4(CCC(C)CO4)C(C)C3C12C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 428.66 | Num_heavy_atoms: | 31 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
