Glycoside
GD146677
Name:
microsporanate cFormula:
C64H92O23N2Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=CC(C)=O)=CC(O)C4C=C2C)C3=O)CC1(C)[NH+]([O-])OAglycone:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=CC(C)=O)=CC(O)C4C=C2C)C3=O)CC1(C)[NH+]([O-])OSugarmoiety:
CC(=O)OC1C(C)OC(O)CC1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 13 |
| MolWt: | 1257.43 | Num_heavy_atoms: | 89 |
| TPSA: | 351.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD47229
Formula: C44H60O13N2
Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=CC(C)=O)=CC(O)C4C=C2C)C3=O)CC1(C)[NH+]([O-])O| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 824.97 | Num_heavy_atoms: | 59 |
| TPSA: | 229.14 | NumAromaticRings: | 0 |
