Glycoside
GD003581
Name:
UPROLESELAN SODIUMFormula:
C60H108O27N3Smiles:
CC[C@@H]1C[C@H](C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](CC3CCCCC3)C(=O)[O-])[C@H]2NC(C)=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC1CC(C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC(O)C1O.O=C([O-])C(O)CC1CCCCC1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 52 |
| MolWt: | 1303.52 | Num_heavy_atoms: | 90 |
| TPSA: | 385.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD00488
Formula: C9H15O3
Smiles:
O=C([O-])C(O)CC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 171.22 | Num_heavy_atoms: | 12 |
| TPSA: | 60.36 | NumAromaticRings: | 0 |
AD03240
Formula: C37H72O16N2
Smiles:
CCC1CC(C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC(O)C1O| HBA: | 18 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 41 |
| MolWt: | 800.98 | Num_heavy_atoms: | 55 |
| TPSA: | 209.42 | NumAromaticRings: | 0 |
