Glycoside
GD140513
Name:
XppppxFormula:
C20H26O23N8P4Smiles:
O=P(O)(OCC1OC(n2cnc3c(O)nc(O)nc32)C(O)C1O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(O)nc(O)nc32)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Oc1nc(O)c2c(n1)[N]C=N2.Oc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.5 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 14 |
| MolWt: | 870.36 | Num_heavy_atoms: | 55 |
| TPSA: | 462.85 | NumAromaticRings: | 4 |
Unique Aglycone
AD02144
Formula: C2H10O13P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 13 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 365.99 | Num_heavy_atoms: | 19 |
| TPSA: | 195.35 | NumAromaticRings: | 0 |
AD12557
Formula: C5H3O2N4
Smiles:
Oc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.11 | Num_heavy_atoms: | 11 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
