Glycoside
GD021394
Name:
NoneFormula:
C54H74O12N4Cl2Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@H]1O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(C(=O)OCc4cn(-c5ccc(Cl)cc5Cl)nn4)CC[C@]23C)C1(C)CAglycone:
CC1(C)CCC2(C(=O)OCc3cn(-c4ccc(Cl)cc4Cl)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC(=O)NC1C(O)OC(COC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 1018.09 | Num_heavy_atoms: | 70 |
| TPSA: | 224.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD14638
Formula: C41H53O3N3Cl2
Smiles:
CC1(C)CCC2(C(=O)OCc3cn(-c4ccc(Cl)cc4Cl)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | 9.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 682.78 | Num_heavy_atoms: | 47 |
| TPSA: | 77.24 | NumAromaticRings: | 2 |
