Glycoside
GD125544
Name:
NoneFormula:
C19H27O7N3Smiles:
COc1cc(NC(O)=NCC2OC(CC(O)=NC3CC3)C(O)C2O)cc(OC)c1Aglycone:
CC(O)=NC1CC1.CN=C(O)Nc1cc(OC)cc(OC)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 409.44 | Num_heavy_atoms: | 29 |
| TPSA: | 145.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD45667
Formula: C5H9ON
Smiles:
CC(O)=NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD50776
Formula: C10H14O3N2
Smiles:
CN=C(O)Nc1cc(OC)cc(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 63.08 | NumAromaticRings: | 1 |
