Glycoside
GD128603
Name:
NoneFormula:
C30H33O11N3Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4OC(CO)C(O)C(O)C4O)c(O)cc3CC2C(=O)O)ccc1OAglycone:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 611.6 | Num_heavy_atoms: | 44 |
| TPSA: | 222.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD52094
Formula: C24H23O6N3
Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.46 | Num_heavy_atoms: | 33 |
| TPSA: | 143.02 | NumAromaticRings: | 2 |
