Glycoside
GD009950
Name:
NoneFormula:
C24H26O8N8SSmiles:
CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC(N)C3Sc1ncnc2c1ncn2C[C@@H]1O[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC(N)C3Sc1ncnc2c1ncn2CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 586.59 | Num_heavy_atoms: | 41 |
| TPSA: | 256.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD07743
Formula: C20H20O4N8S
Smiles:
CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC(N)C3Sc1ncnc2c1ncn2C| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 468.5 | Num_heavy_atoms: | 33 |
| TPSA: | 187.03 | NumAromaticRings: | 3 |
