Glycoside
GD005053
Name:
NoneFormula:
C16H22O19N2P4Smiles:
COc1cccc(OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)c1Aglycone:
COc1cccc(OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC)c1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 13 |
| MolWt: | 670.24 | Num_heavy_atoms: | 41 |
| TPSA: | 309.13 | NumAromaticRings: | 2 |
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 |
AD04329
Formula: C8H14O14P4
Smiles:
COc1cccc(OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC)c1| HBA: | 14 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 458.08 | Num_heavy_atoms: | 26 |
| TPSA: | 204.58 | NumAromaticRings: | 1 |
