Glycoside
GD033011
Name:
NoneFormula:
C39H64O8N2Smiles:
CC1(C)CC[C@]2(NC(=O)N[C@@H]3C(O)O[C@H](CO)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H]6OC(C)(C)OC[C@@]6(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1(C)CCC2(NC(N)=O)CCC3(C)C(=CCC4C5(C)CCC6OC(C)(C)OCC6(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 688.95 | Num_heavy_atoms: | 49 |
| TPSA: | 149.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD21103
Formula: C33H54O3N2
Smiles:
CC1(C)CCC2(NC(N)=O)CCC3(C)C(=CCC4C5(C)CCC6OC(C)(C)OCC6(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 7.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 526.81 | Num_heavy_atoms: | 38 |
| TPSA: | 73.58 | NumAromaticRings: | 0 |
