Glycoside
GD008444
Name:
NoneFormula:
C30H38O14N4Smiles:
CON(CC(=O)Nc1ccc2c(c1O)C(=O)C1=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@H](N(C)C)[C@H]3[C@H](O)[C@H]1[C@H]2C)C1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CONCC(=O)Nc1ccc2c(c1O)C(=O)C1=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C1C2CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.65 | Num_heavy_atoms: | 48 |
| TPSA: | 293.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD06743
Formula: C25H30O10N4
Smiles:
CONCC(=O)Nc1ccc2c(c1O)C(=O)C1=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C1C2C| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.53 | Num_heavy_atoms: | 39 |
| TPSA: | 231.98 | NumAromaticRings: | 1 |
