Glycoside
GD097449
Name:
NoneFormula:
C20H26O7N4SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnn3c2C(=O)N(Cc2cccs2)CC3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cnn2c1C(=O)N(Cc1cccs1)CC2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.52 | Num_heavy_atoms: | 32 |
| TPSA: | 146.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD41446
Formula: C14H16O3N4S
Smiles:
O=C(NCCO)c1cnn2c1C(=O)N(Cc1cccs1)CC2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.37 | Num_heavy_atoms: | 22 |
| TPSA: | 87.46 | NumAromaticRings: | 2 |
