Glycoside
GD032843
Name:
NoneFormula:
C38H57O15N3Smiles:
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C(C[C@H](C)C[C@H](OC)[C@H](O)C(C)C=C(C)[C@H]1OC(N)=O)C2=OAglycone:
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCOCCO)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.63 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 12 |
| MolWt: | 795.88 | Num_heavy_atoms: | 56 |
| TPSA: | 274.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD21013
Formula: C32H47O10N3
Smiles:
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCOCCO)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 633.74 | Num_heavy_atoms: | 45 |
| TPSA: | 195.74 | NumAromaticRings: | 0 |
