Glycoside
GD010054
Name:
NoneFormula:
C44H75O35N7Smiles:
O=C(NCC(CNC(=O)OCCNC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)NC(O)NC(=O)OCCOCCNC(=O)O[C@@H]1C[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)OCCNC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)NCCOC(=O)NCC(CNC(=O)OCCNC(=O)O)OC(=O)NC(O)NC(=O)OCCOCCNC(=O)OC1CC(CO)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 42 | RingCount: | 4 |
| HBD: | 23 | FractionCSP3: | 0.84 |
| AlogP: | -12.38 | Num_rotatable_bonds: | 28 |
| MolWt: | 1262.1 | Num_heavy_atoms: | 86 |
| TPSA: | 638.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD07807
Formula: C26H45O20N7
Smiles:
O=C(O)NCCOC(=O)NCC(CNC(=O)OCCNC(=O)O)OC(=O)NC(O)NC(=O)OCCOCCNC(=O)OC1CC(CO)C(O)C(O)C1O| HBA: | 27 | RingCount: | 1 |
| HBD: | 14 | FractionCSP3: | 0.73 |
| AlogP: | -4.72 | Num_rotatable_bonds: | 21 |
| MolWt: | 775.68 | Num_heavy_atoms: | 53 |
| TPSA: | 400.69 | NumAromaticRings: | 0 |
