Glycoside
GD036734
Name:
NoneFormula:
C61H86O14N6Smiles:
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)NN=Cc7ccc(N(C)C)cc7)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C(=O)NN=Cc7ccc(N(C)C)cc7)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CN(C)c1ccc(C=NNC=O)cc1.CN(C)c1ccc(C=NNC=O)cc1.COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 13 |
| MolWt: | 1127.39 | Num_heavy_atoms: | 81 |
| TPSA: | 270.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD05322
Formula: C31H48O4
Smiles:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.72 | Num_heavy_atoms: | 35 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD23173
Formula: C10H13ON3
Smiles:
CN(C)c1ccc(C=NNC=O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 191.23 | Num_heavy_atoms: | 14 |
| TPSA: | 44.7 | NumAromaticRings: | 1 |
