Glycoside
GD114683
Name:
Farneside BFormula:
C24H40O8N2Smiles:
CC(C)=CCCC(C)(O)C(O)CCC(C)=CCOCC1OC(N2CCC(O)=NC2=O)C(O)C1OAglycone:
COCC=C(C)CCC(O)C(C)(O)CCC=C(C)C.O=C1N=C(O)CCN1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 12 |
| MolWt: | 484.59 | Num_heavy_atoms: | 34 |
| TPSA: | 152.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD19155
Formula: C16H30O3
Smiles:
COCC=C(C)CCC(O)C(C)(O)CCC=C(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 270.41 | Num_heavy_atoms: | 19 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD45212
Formula: C4H6O2N2
Smiles:
O=C1N=C(O)CCN1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.1 | Num_heavy_atoms: | 8 |
| TPSA: | 61.69 | NumAromaticRings: | 0 |
