Glycoside
GD140467
Name:
Farneside AFormula:
C24H38O7N2Smiles:
CC(C)=CCCC1(C)OC1CCC(C)=CCOCC1OC(N2CCC(O)=NC2=O)C(O)C1OAglycone:
COCC=C(C)CCC1OC1(C)CCC=C(C)C.O=C1N=C(O)CCN1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 466.58 | Num_heavy_atoms: | 33 |
| TPSA: | 124.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD07555
Formula: C16H28O2
Smiles:
COCC=C(C)CCC1OC1(C)CCC=C(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 252.4 | Num_heavy_atoms: | 18 |
| TPSA: | 21.76 | 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 |
