Glycoside
GD002133
Name:
NoneFormula:
C47H78O11N2Smiles:
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)NCCN6CCCC6)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)NCCN3CCCC3)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: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 847.14 | Num_heavy_atoms: | 60 |
| TPSA: | 190.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD02066
Formula: C36H60O3N2
Smiles:
CC1(C)CCC2(C(=O)NCCN3CCCC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 6.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 568.89 | Num_heavy_atoms: | 41 |
| TPSA: | 72.8 | NumAromaticRings: | 0 |
