Glycoside
GD117508
Name:
Iedoglucomide AFormula:
C30H53O12NSmiles:
CC(N=C(O)CCCCCCCCCCCCC(OC1OC(COC(=O)CCC(=O)O)C(O)C(O)C1O)C(C)C)C(=O)OAglycone:
CC(N=C(O)CCCCCCCCCCCCC(O)C(C)C)C(=O)O.COC(=O)CCC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 23 |
| MolWt: | 619.75 | Num_heavy_atoms: | 43 |
| TPSA: | 212.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD08961
Formula: C5H8O4
Smiles:
COC(=O)CCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD46858
Formula: C20H39O4N
Smiles:
CC(N=C(O)CCCCCCCCCCCCC(O)C(C)C)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 16 |
| MolWt: | 357.54 | Num_heavy_atoms: | 25 |
| TPSA: | 90.12 | NumAromaticRings: | 0 |
