Glycoside
GD035576
Name:
NoneFormula:
C53H78O12N4Smiles:
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(-c5cccc(C)c5)nn4)CC[C@]23C)C1(C)CAglycone:
Cc1cccc(-n2cc(COC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)c1Sugarmoiety:
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: | 5.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 963.22 | Num_heavy_atoms: | 69 |
| TPSA: | 224.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD22503
Formula: C40H57O3N3
Smiles:
Cc1cccc(-n2cc(COC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)c1| HBA: | 6 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | 8.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 627.91 | Num_heavy_atoms: | 46 |
| TPSA: | 77.24 | NumAromaticRings: | 2 |
