Glycoside
GD000796
Name:
NoneFormula:
C65H110O30N8Smiles:
O=C(CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CNC(=O)OCc1ccccc1Aglycone:
O=C(CCCCO)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO)(COCCC(=O)NCCCNC(=O)CCCCO)NC(=O)CNC(=O)OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 38 | RingCount: | 4 |
| HBD: | 20 | FractionCSP3: | 0.78 |
| AlogP: | -7.18 | Num_rotatable_bonds: | 53 |
| MolWt: | 1483.62 | Num_heavy_atoms: | 103 |
| TPSA: | 567.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD00839
Formula: C47H80O15N8
Smiles:
O=C(CCCCO)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO)(COCCC(=O)NCCCNC(=O)CCCCO)NC(=O)CNC(=O)OCc1ccccc1| HBA: | 23 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.7 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 44 |
| MolWt: | 997.2 | Num_heavy_atoms: | 70 |
| TPSA: | 330.41 | NumAromaticRings: | 1 |
