Glycoside
GD033271
Name:
NoneFormula:
C63H64O10N6Smiles:
COc1cc(Cn2cc(COC[C@@H]3O[C@H](OCc4cn(Cc5ccc(OCc6ccccc6)c(OC)c5)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)ccc1OCc1ccccc1Aglycone:
COCc1cn(Cc2ccc(OCc3ccccc3)c(OC)c2)nn1.COc1cc(Cn2cc(CO)nn2)ccc1OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 10 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 10.36 | Num_rotatable_bonds: | 28 |
| MolWt: | 1065.24 | Num_heavy_atoms: | 79 |
| TPSA: | 153.72 | NumAromaticRings: | 9 |
Unique Aglycone
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 |
AD21251
Formula: C19H21O3N3
Smiles:
COCc1cn(Cc2ccc(OCc3ccccc3)c(OC)c2)nn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.26 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 339.4 | Num_heavy_atoms: | 25 |
| TPSA: | 58.4 | NumAromaticRings: | 3 |
AD21252
Formula: C18H19O3N3
Smiles:
COc1cc(Cn2cc(CO)nn2)ccc1OCc1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 325.37 | Num_heavy_atoms: | 24 |
| TPSA: | 69.4 | NumAromaticRings: | 3 |
