Glycoside
GD030761
Name:
NoneFormula:
C32H47O13N8FSSmiles:
CC1(C)O[C@@H]2[C@H](CC(=O)N[C@H](CCCNC(=N)N)C(=O)O)O[C@H](CNS(=O)(=O)c3ccc(-c4cn(CCO[C@@H]5O[C@H](CF)[C@H](O)[C@H](O)[C@H]5O)nn4)cc3)[C@H]2O1Aglycone:
CC1(C)OC2C(CNS(=O)(=O)c3ccc(-c4cn(CCO)nn4)cc3)OC(CC(=O)NC(CCCNC(=N)N)C(=O)O)C2O1Sugarmoiety:
OC1OC(CF)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.66 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 18 |
| MolWt: | 802.84 | Num_heavy_atoms: | 55 |
| TPSA: | 312.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD19900
Formula: C26H38O9N8S
Smiles:
CC1(C)OC2C(CNS(=O)(=O)c3ccc(-c4cn(CCO)nn4)cc3)OC(CC(=O)NC(CCCNC(=N)N)C(=O)O)C2O1| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 15 |
| MolWt: | 638.7 | Num_heavy_atoms: | 44 |
| TPSA: | 253.1 | NumAromaticRings: | 2 |
