Glycoside
GD033601
Name:
NoneFormula:
C40H59O24N15P4Smiles:
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]2COP(=O)(O)O[C@@H]2[C@H](COP(=O)(O)OCCCO)O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H]2OC)O[C@@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(O)OC1CN(Cc2c[nH]c3c(N)ncnc23)CC1COP(=O)(O)O.COP(=O)(O)OCCCO.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=P(O)(O)OCCCOSugarmoiety:
COC1C(O)OC(CO)C1O.COC1OC(O)OC1OOther Identifiers
Properties
| HBA: | 39 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.6 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 29 |
| MolWt: | 1257.89 | Num_heavy_atoms: | 83 |
| TPSA: | 550.43 | NumAromaticRings: | 6 |
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 |
AD20038
Formula: C13H21O8N5P2
Smiles:
COP(=O)(O)OC1CN(Cc2c[nH]c3c(N)ncnc23)CC1COP(=O)(O)O| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.29 | Num_heavy_atoms: | 28 |
| TPSA: | 193.35 | NumAromaticRings: | 2 |
AD21434
Formula: C4H11O5P
Smiles:
COP(=O)(O)OCCCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.1 | Num_heavy_atoms: | 10 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
