Glycoside
GD019830
Name:
NoneFormula:
C34H34O9N4SSmiles:
CC(=O)OCC1OC(n2c(-c3ccccc3)c(N=Nc3ccc(C)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Cc1ccc(N=Nc2c(-c3ccccc3)[nH]c(=S)c(C#N)c2C)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.35 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 674.73 | Num_heavy_atoms: | 48 |
| TPSA: | 167.87 | NumAromaticRings: | 3 |
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 |
AD10388
Formula: C20H16N4S
Smiles:
Cc1ccc(N=Nc2c(-c3ccccc3)[nH]c(=S)c(C#N)c2C)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.44 | Num_heavy_atoms: | 25 |
| TPSA: | 64.3 | NumAromaticRings: | 3 |
