Glycoside
GD026708
Name:
NoneFormula:
C39H63O8N3Smiles:
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(=O)NN6CCCCC6)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.NC(=O)NN1CCCCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 701.95 | Num_heavy_atoms: | 50 |
| TPSA: | 141.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00005
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD17590
Formula: C6H13ON3
Smiles:
NC(=O)NN1CCCCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 143.19 | Num_heavy_atoms: | 10 |
| TPSA: | 58.36 | NumAromaticRings: | 0 |
