Glycoside
GD022447
Name:
NoneFormula:
C39H61O9N9Smiles:
CC[C@H](C)[C@H](NC(=O)C(O)C(O)C(O)C(O)CO)C(=O)N[C@H](CNCC(=O)N[C@H](CCCN=C(N)N)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC)C(C)CAglycone:
CCC(C)C(N)C(=O)NC(CNCC(=O)NC(CCCN=C(N)N)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC)C(C)CSugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 23 |
| MolWt: | 799.97 | Num_heavy_atoms: | 57 |
| TPSA: | 298.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD15217
Formula: C33H51O3N9
Smiles:
CCC(C)C(N)C(=O)NC(CNCC(=O)NC(CCCN=C(N)N)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC)C(C)C| HBA: | 12 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 17 |
| MolWt: | 621.83 | Num_heavy_atoms: | 45 |
| TPSA: | 194.68 | NumAromaticRings: | 3 |
