Glycoside
GD010545
Name:
NoneFormula:
C23H28O12N7PSmiles:
CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC(N)C3OP(=O)(O)OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OC1c2c(COC(N)=O)c3c(n2CC1N)C(=O)C(C)=C(N)C3=O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.43 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 625.49 | Num_heavy_atoms: | 43 |
| TPSA: | 309.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD04533
Formula: C15H19O8N4P
Smiles:
COP(=O)(O)OC1c2c(COC(N)=O)c3c(n2CC1N)C(=O)C(C)=C(N)C3=O| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.31 | Num_heavy_atoms: | 28 |
| TPSA: | 199.19 | NumAromaticRings: | 1 |
