Glycoside
GD137826
Name:
paulomenol aFormula:
C29H43O16NSmiles:
CCC(C)C(=O)OC(C)C1(O)C(C)OC(OC2C(O)C(COC(C)=O)OC(C3C(O)=C(C(=O)O)C(=N)C(=O)C3O)C2O)CC1OCAglycone:
CCOC(=O)C(C)CC.COC(C)=O.N=C1C(=O)C(O)CC(O)=C1C(=O)OSugarmoiety:
COC1CC(OC2C(O)C(O)OC(O)C2O)OC(C)C1(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 661.65 | Num_heavy_atoms: | 46 |
| TPSA: | 268.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD03771
Formula: C7H14O2
Smiles:
CCOC(=O)C(C)CC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD52000
Formula: C7H7O5N
Smiles:
N=C1C(=O)C(O)CC(O)=C1C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 185.13 | Num_heavy_atoms: | 13 |
| TPSA: | 118.68 | NumAromaticRings: | 0 |
