Glycoside
GD007780
Name:
NoneFormula:
C27H37O23N5P4Smiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=NOCCCc5ccccc5)[nH]c4=O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC.O=c1[nH]ccc(=NOCCCc2ccccc2)[nH]1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 19 |
| MolWt: | 923.5 | Num_heavy_atoms: | 59 |
| TPSA: | 408.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
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 |
AD02474
Formula: C13H15O2N3
Smiles:
O=c1[nH]ccc(=NOCCCc2ccccc2)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 245.28 | Num_heavy_atoms: | 18 |
| TPSA: | 70.24 | NumAromaticRings: | 2 |
