Glycoside
GD107405
Name:
NoneFormula:
C36H47O20NSmiles:
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OCCNC(=O)OCc3ccccc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.COC(C)=O.O=C(NCCO)OCc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 17 |
| MolWt: | 813.76 | Num_heavy_atoms: | 57 |
| TPSA: | 259.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44310
Formula: C10H13O3N
Smiles:
O=C(NCCO)OCc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 195.22 | Num_heavy_atoms: | 14 |
| TPSA: | 58.56 | NumAromaticRings: | 1 |
