Glycoside
GD119512
Name:
NoneFormula:
C57H83O14N16PSmiles:
CC1=C2NC(=CC3=NC(=C(C)C4=NC(C)(C5N=C1C(C)(CCC(O)=NCCOP(=O)(O)OC1C(CO)OC(n6cnc7ncnc(N)c76)C1O)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)O)C(C)(CC(=N)O)C3CCC(=N)O)C(C)(C)C2CCC(=N)OAglycone:
CC1=C2NC(=CC3=NC(=C(C)C4=NC(C)(C5N=C1C(C)(CCC(O)=NCCOP(=O)(O)O)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)O)C(C)(CC(=N)O)C3CCC(=N)O)C(C)(C)C2CCC(=N)O.Nc1ncnc2c1[N]C=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 8 |
| HBD: | 19 | FractionCSP3: | 0.63 |
| AlogP: | 7.67 | Num_rotatable_bonds: | 26 |
| MolWt: | 1247.36 | Num_heavy_atoms: | 88 |
| TPSA: | 521.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD08370
Formula: C5H4N5
Smiles:
Nc1ncnc2c1[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD47895
Formula: C47H72O11N11P
Smiles:
CC1=C2NC(=CC3=NC(=C(C)C4=NC(C)(C5N=C1C(C)(CCC(O)=NCCOP(=O)(O)O)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)O)C(C)(CC(=N)O)C3CCC(=N)O)C(C)(C)C2CCC(=N)O| HBA: | 22 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 0.66 |
| AlogP: | 8.6 | Num_rotatable_bonds: | 22 |
| MolWt: | 998.13 | Num_heavy_atoms: | 70 |
| TPSA: | 412.94 | NumAromaticRings: | 0 |
