Glycoside
GD114997
Name:
lobophorin fFormula:
C54H80O17N2Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(O)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C)C(C)=CC4C=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)C(C)=CC4C=C2C)C3=O)CC1(C)[NH+]([O-])OSugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 1029.23 | Num_heavy_atoms: | 73 |
| TPSA: | 269.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD45404
Formula: C42H60O11N2
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)C(C)=CC4C=C2C)C3=O)CC1(C)[NH+]([O-])O| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 768.95 | Num_heavy_atoms: | 55 |
| TPSA: | 191.84 | NumAromaticRings: | 0 |
