Glycoside
GD009582
Name:
NoneFormula:
C42H67O10NSmiles:
CC1(C)CC[C@]2(C(=O)NCCCCCC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1(C)CCC2(C(=O)NCCCCCC(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 5.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 746.0 | Num_heavy_atoms: | 53 |
| TPSA: | 182.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD07500
Formula: C36H59O4N
Smiles:
CC1(C)CCC2(C(=O)NCCCCCC(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 7.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 569.87 | Num_heavy_atoms: | 41 |
| TPSA: | 86.63 | NumAromaticRings: | 0 |
