Glycoside
GD019461
Name:
NoneFormula:
C65H104O33N8Smiles:
O=C(CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NCC(=O)NCCCC(=O)OCC(COC(=O)CCCNC(=O)CNC(=O)CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)(COC(=O)CCCNC(=O)CNC(=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)NCC(=O)NCCCC(=O)OCC(COC(=O)CCCNC(=O)CNC(=O)CCCCO)(COC(=O)CCCNC(=O)CNC(=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: | 41 | RingCount: | 4 |
| HBD: | 20 | FractionCSP3: | 0.74 |
| AlogP: | -8.6 | Num_rotatable_bonds: | 50 |
| MolWt: | 1525.57 | Num_heavy_atoms: | 106 |
| TPSA: | 619.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD13581
Formula: C47H74O18N8
Smiles:
O=C(CCCCO)NCC(=O)NCCCC(=O)OCC(COC(=O)CCCNC(=O)CNC(=O)CCCCO)(COC(=O)CCCNC(=O)CNC(=O)CCCCO)NC(=O)CNC(=O)OCc1ccccc1| HBA: | 26 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.64 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 41 |
| MolWt: | 1039.15 | Num_heavy_atoms: | 73 |
| TPSA: | 381.62 | NumAromaticRings: | 1 |
