Glycoside
GD138440
Name:
NoneFormula:
C28H50O12N2Smiles:
COC(C(O)=NC1CCC(OC(=O)C(OC)C(O)C(O)C(O)CCC(C)C)CN=C1O)C(O)C(O)C(O)C=CC(C)CAglycone:
C=CC(C)C.CCC(C)C.NC1CCCCN=C1OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)O.COC(C(=O)OO)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 17 |
| MolWt: | 606.71 | Num_heavy_atoms: | 42 |
| TPSA: | 231.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD00195
Formula: C5H12
Smiles:
CCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 72.15 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD00557
Formula: C5H10
Smiles:
C=CC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 70.13 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD45740
Formula: C6H12ON2
Smiles:
NC1CCCCN=C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.18 | Num_heavy_atoms: | 9 |
| TPSA: | 58.61 | NumAromaticRings: | 0 |
