Glycoside
GD030387
Name:
NoneFormula:
C49H73O23N5S3Smiles:
CCCCCCCCCCCCCCCC(=O)NCCC(=O)N[C@H](CS(=O)(=O)O)C(=O)N(C)[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](C(=O)O)Cc2ccc(OS(=O)(=O)O)c(c2)-c2cc1cc(OS(=O)(=O)O)c2O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCC(=O)NCCC(=O)NC(CS(=O)(=O)O)C(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(OS(=O)(=O)O)c(c2)-c2cc1cc(OS(=O)(=O)O)c2OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.63 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 29 |
| MolWt: | 1196.34 | Num_heavy_atoms: | 80 |
| TPSA: | 434.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD19665
Formula: C43H63O19N5S3
Smiles:
CCCCCCCCCCCCCCCC(=O)NCCC(=O)NC(CS(=O)(=O)O)C(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(OS(=O)(=O)O)c(c2)-c2cc1cc(OS(=O)(=O)O)c2O| HBA: | 24 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 27 |
| MolWt: | 1050.19 | Num_heavy_atoms: | 70 |
| TPSA: | 375.81 | NumAromaticRings: | 2 |
