Glycoside
GD035864
Name:
NoneFormula:
C34H47O10N3Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2cc(COC(=O)[C@@]3(C)CCC[C@@]4(C)[C@H]5CC[C@]6(C)C[C@]5(CC[C@@H]34)CC6=O)nn2)[C@@H]1OC(C)=OAglycone:
CC12CCC3C(CCC4C(C)(C(=O)OCC5=C[N]N=N5)CCCC34C)(CC1=O)C2Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.79 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 657.76 | Num_heavy_atoms: | 47 |
| TPSA: | 162.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD17313
Formula: C23H32O3N3
Smiles:
CC12CCC3C(CCC4C(C)(C(=O)OCC5=C[N]N=N5)CCCC34C)(CC1=O)C2| HBA: | 6 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.53 | Num_heavy_atoms: | 29 |
| TPSA: | 82.19 | NumAromaticRings: | 0 |
