Glycoside
GD011869
Name:
NoneFormula:
C37H55O14N3Smiles:
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCCO[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(NCCCO)=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: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 765.85 | Num_heavy_atoms: | 54 |
| TPSA: | 265.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD09005
Formula: C31H45O9N3
Smiles:
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCCO)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 603.71 | Num_heavy_atoms: | 43 |
| TPSA: | 186.51 | NumAromaticRings: | 0 |
