Glycoside
GD000157
Name:
NoneFormula:
C42H63O19N3Smiles:
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCO[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[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(NCCO)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 913.97 | Num_heavy_atoms: | 64 |
| TPSA: | 344.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD00193
Formula: C30H43O9N3
Smiles:
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCO)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 589.69 | Num_heavy_atoms: | 42 |
| TPSA: | 186.51 | NumAromaticRings: | 0 |
