Glycoside
GD032957
Name:
NoneFormula:
C56H76O14N6S2Smiles:
O=C(NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCCCC2)cc1)[C@@H](O)[C@@H](O)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCCCC2)cc1Aglycone:
NCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1.NCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 31 |
| MolWt: | 1121.39 | Num_heavy_atoms: | 78 |
| TPSA: | 252.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD21073
Formula: C26H37O5N3S
Smiles:
NCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 13 |
| MolWt: | 503.67 | Num_heavy_atoms: | 35 |
| TPSA: | 103.12 | NumAromaticRings: | 2 |
