Glycoside
GD017333
Name:
NoneFormula:
C54H87O14N3Smiles:
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OCCC(=O)NCC(C)(C)[N+]([O-])=Cc5ccc(CNC(=O)[C@H](O)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)CO)cc5)CC[C@@]4(C)[C@H]3CC[C@@]12CAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCC(=O)NCC(C)(C)[N+]([O-])=Cc5ccc(C[NH])cc5)CCC4(C)C3CCC12CSugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.8 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 23 |
| MolWt: | 1002.3 | Num_heavy_atoms: | 71 |
| TPSA: | 273.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD12375
Formula: C42H66O3N3
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCC(=O)NCC(C)(C)[N+]([O-])=Cc5ccc(C[NH])cc5)CCC4(C)C3CCC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 9.11 | Num_rotatable_bonds: | 14 |
| MolWt: | 661.01 | Num_heavy_atoms: | 48 |
| TPSA: | 88.2 | NumAromaticRings: | 1 |
