Glycoside
GD029570
Name:
NoneFormula:
C30H38O12N4Smiles:
COc1cc(C=CC(C)=O)ccc1OCc1cn(CCO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nn1Aglycone:
COC(C)=O.COc1cc(C=CC(C)=O)ccc1OCc1cn(CCO)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 15 |
| MolWt: | 646.65 | Num_heavy_atoms: | 46 |
| TPSA: | 192.7 | NumAromaticRings: | 2 |
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 |
AD19224
Formula: C16H19O4N3
Smiles:
COc1cc(C=CC(C)=O)ccc1OCc1cn(CCO)nn1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 317.35 | Num_heavy_atoms: | 23 |
| TPSA: | 86.47 | NumAromaticRings: | 2 |
