Glycoside
GD005383
Name:
NoneFormula:
C42H48O11N6SSmiles:
CC[C@]1(OC(=O)CNC(=O)[C@H](CCCCN)N=C(S)Nc2ccc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](OC)[C@H]3O)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1Aglycone:
CCC1(OC(=O)CNC(=O)C(CCCCN)N=C(S)Nc2ccc(O)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1Sugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 14 |
| MolWt: | 844.94 | Num_heavy_atoms: | 60 |
| TPSA: | 235.15 | NumAromaticRings: | 4 |
Unique Aglycone
AD04582
Formula: C35H36O7N6S
Smiles:
CCC1(OC(=O)CNC(=O)C(CCCCN)N=C(S)Nc2ccc(O)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 684.77 | Num_heavy_atoms: | 49 |
| TPSA: | 187.23 | NumAromaticRings: | 4 |
