Glycoside
GD035527
Name:
NoneFormula:
C17H21O14N3P2Smiles:
Cc1ncc(COP(=O)(O)OP(=O)(O)OC[C@@H]2OC(n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)c(C=O)c1OAglycone:
COP(=O)(O)OP(=O)(O)OCc1cnc(C)c(O)c1C=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 553.31 | Num_heavy_atoms: | 36 |
| TPSA: | 257.03 | 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 |
AD22471
Formula: C9H13O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCc1cnc(C)c(O)c1C=O| HBA: | 10 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 341.15 | Num_heavy_atoms: | 21 |
| TPSA: | 152.48 | NumAromaticRings: | 1 |
