Glycoside
GD156096
Name:
lobophorin iFormula:
C61H90O21N2Smiles:
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)=C3C(=O)OC4(CC(C)C(C=O)=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=O)=CC4C=C2C)C3=O)CC1(C)[NH+]([O-])OSugarmoiety:
COC1C(O)CC(OC2C(O)CC(OC3CC(O)OC(C)C3O)OC2C)OC1COther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 12 |
| MolWt: | 1187.38 | Num_heavy_atoms: | 84 |
| TPSA: | 313.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD61845
Formula: C42H58O12N2
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=O)=CC4C=C2C)C3=O)CC1(C)[NH+]([O-])O| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 782.93 | Num_heavy_atoms: | 56 |
| TPSA: | 208.91 | NumAromaticRings: | 0 |
