Glycoside
GD021514
Name:
NoneFormula:
C42H69O8NSmiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)NCCCCCC(=O)O)CC[C@]34C)C2(C)C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)NCCCCCC(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 716.01 | Num_heavy_atoms: | 51 |
| TPSA: | 145.55 | 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 |
