Glycoside
GD140883
Name:
Lobophorin GFormula:
C63H94O20N2Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(OC7CC(O)C(OC)C(C)O7)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(COC(C)=O)=CC4C=C2C)OC3=O)CC1(C)NAglycone:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(COC(C)=O)=CC4C=C2C)OC3=O)CC1(C)NSugarmoiety:
COC1C(O)CC(OC2C(O)CC(OC3CC(O)OC(C)C3O)OC2C)OC1COther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 12 |
| MolWt: | 1199.44 | Num_heavy_atoms: | 85 |
| TPSA: | 301.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD56796
Formula: C44H62O11N2
Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(COC(C)=O)=CC4C=C2C)OC3=O)CC1(C)N| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 794.98 | Num_heavy_atoms: | 57 |
| TPSA: | 196.43 | NumAromaticRings: | 0 |
