Glycoside
GD107699
Name:
NoneFormula:
C24H29O10N3Smiles:
CC(=O)N[C@H]1[C@H](O/N=C2/C(=O)N(C)c3ccc(C)cc32)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Cc1ccc2c(c1)C(=NO)C(=O)N2CSugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 519.51 | Num_heavy_atoms: | 37 |
| TPSA: | 159.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD35153
Formula: C10H10O2N2
Smiles:
Cc1ccc2c(c1)C(=NO)C(=O)N2C| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.2 | Num_heavy_atoms: | 14 |
| TPSA: | 52.9 | NumAromaticRings: | 1 |
