Glycoside
GD032632
Name:
NoneFormula:
C47H77O15NSmiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)OCCCCCCO[N+](=O)[O-])CC[C@]45C)[C@@]3(C)CO)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)OCCCCCCO[N+](=O)[O-])CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 14 |
| MolWt: | 896.13 | Num_heavy_atoms: | 63 |
| TPSA: | 236.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD20898
Formula: C36H59O7N
Smiles:
CC1(C)CCC2(C(=O)OCCCCCCO[N+](=O)[O-])CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 7.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 617.87 | Num_heavy_atoms: | 44 |
| TPSA: | 119.13 | NumAromaticRings: | 0 |
