Glycoside
GD028832
Name:
NoneFormula:
C19H30O9N6SSmiles:
C[C@@H]1O[C@H](OCCC(=O)NS(=O)(=O)CCCCCn2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@H](O)[C@H]1OAglycone:
Nc1nc2c(ncn2CCCCCS(=O)(=O)NC(=O)CCO)c(=O)[nH]1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 518.55 | Num_heavy_atoms: | 35 |
| TPSA: | 231.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD18795
Formula: C13H20O5N6S
Smiles:
Nc1nc2c(ncn2CCCCCS(=O)(=O)NC(=O)CCO)c(=O)[nH]1| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 372.41 | Num_heavy_atoms: | 25 |
| TPSA: | 173.06 | NumAromaticRings: | 2 |
