Glycoside
GD022648
Name:
NoneFormula:
C35H40O10N3PSmiles:
CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(OP(=O)(O)O[C@@H]2[C@H](CO)O[C@H](n3ccc(=O)[nH]c3=O)[C@H]2O)cc1)c1ccccc1Aglycone:
CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(OP(=O)(O)O)cc1)c1ccccc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 14 |
| MolWt: | 693.69 | Num_heavy_atoms: | 49 |
| TPSA: | 172.78 | NumAromaticRings: | 4 |
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 |
AD15331
Formula: C26H30O5NP
Smiles:
CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(OP(=O)(O)O)cc1)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 467.5 | Num_heavy_atoms: | 33 |
| TPSA: | 79.23 | NumAromaticRings: | 3 |
