Glycoside
GD037305
Name:
NoneFormula:
C29H41O8N5Smiles:
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccn([C@@H]3CC[C@H](O[C@@H]4O[C@H](C)[C@H](N(C)C)[C@H](O)[C@H]4O)[C@H](C)O3)c(=O)n2)cc1Aglycone:
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccn(C3CCC(O)C(C)O3)c(=O)n2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1N(C)COther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 587.67 | Num_heavy_atoms: | 42 |
| TPSA: | 164.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD23509
Formula: C21H26O5N4
Smiles:
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccn(C3CCC(O)C(C)O3)c(=O)n2)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.46 | Num_heavy_atoms: | 30 |
| TPSA: | 122.55 | NumAromaticRings: | 2 |
