Glycoside
GD006894
Name:
NoneFormula:
C26H38O13N10P2Smiles:
CO[C@@H]1[C@H](OP(=O)(O)OCCCO)[C@H](COP(=O)(O)O[C@@H]2CN(Cc3c[nH]c4c(N)ncnc34)C[C@H]2CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(O)OC1CN(Cc2c[nH]c3c(N)ncnc23)CC1CO.Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=P(O)(O)OCCCOSugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.58 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 16 |
| MolWt: | 760.59 | Num_heavy_atoms: | 51 |
| TPSA: | 330.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD05278
Formula: C3H9O5P
Smiles:
O=P(O)(O)OCCCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 156.07 | Num_heavy_atoms: | 9 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
AD05656
Formula: C13H20O5N5P
Smiles:
COP(=O)(O)OC1CN(Cc2c[nH]c3c(N)ncnc23)CC1CO| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 357.31 | Num_heavy_atoms: | 24 |
| TPSA: | 146.82 | NumAromaticRings: | 2 |
