Glycoside
GD009513
Name:
NoneFormula:
C30H28O8N4Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2no[n+]([O-])c12Aglycone:
COCc1ccccc1.O=c1[nH]c(=O)c2c(no[n+]2[O-])[nH]1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 572.57 | Num_heavy_atoms: | 42 |
| TPSA: | 144.75 | NumAromaticRings: | 5 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD06942
Formula: C4H2O4N4
Smiles:
O=c1[nH]c(=O)c2c(no[n+]2[O-])[nH]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.08 | Num_heavy_atoms: | 12 |
| TPSA: | 118.69 | NumAromaticRings: | 2 |
