Glycoside
GD019270
Name:
NoneFormula:
C23H28O5N4Smiles:
CC(C)Oc1ccc2ccccc2c1CNC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
CNCc1c(OC(C)C)ccc2ccccc12.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.5 | Num_heavy_atoms: | 32 |
| TPSA: | 131.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD13475
Formula: C15H19ON
Smiles:
CNCc1c(OC(C)C)ccc2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 229.32 | Num_heavy_atoms: | 17 |
| TPSA: | 21.26 | NumAromaticRings: | 2 |
