Glycoside
GD016483
Name:
NoneFormula:
C27H32O23N4P4Smiles:
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(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@H]3OC(C=Cc4ccccc4)O[C@@H]23)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C=Cc3ccccc3)OC12.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 16 |
| MolWt: | 904.45 | Num_heavy_atoms: | 58 |
| TPSA: | 382.45 | 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 |
AD11855
Formula: C19H24O18N2P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C=Cc3ccccc3)OC12| HBA: | 20 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 13 |
| MolWt: | 692.29 | Num_heavy_atoms: | 43 |
| TPSA: | 277.9 | NumAromaticRings: | 2 |
