Glycoside
GD035411
Name:
NoneFormula:
C67H68O14N6Smiles:
COc1cc(COC(=O)Cn2cc(COC[C@@H]3O[C@H](OCc4cn(CC(=O)OCc5ccc(OCc6ccccc6)c(OC)c5)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)ccc1OCc1ccccc1Aglycone:
COCc1cn(CC(=O)OCc2ccc(OCc3ccccc3)c(OC)c2)nn1.COc1cc(COC(=O)Cn2cc(CO)nn2)ccc1OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 10 |
| HBD: | 0 | FractionCSP3: | 0.28 |
| AlogP: | 9.75 | Num_rotatable_bonds: | 32 |
| MolWt: | 1181.31 | Num_heavy_atoms: | 87 |
| TPSA: | 206.32 | 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 |
AD22405
Formula: C21H23O5N3
Smiles:
COCc1cn(CC(=O)OCc2ccc(OCc3ccccc3)c(OC)c2)nn1| HBA: | 8 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 397.43 | Num_heavy_atoms: | 29 |
| TPSA: | 84.7 | NumAromaticRings: | 3 |
AD22406
Formula: C20H21O5N3
Smiles:
COc1cc(COC(=O)Cn2cc(CO)nn2)ccc1OCc1ccccc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 383.4 | Num_heavy_atoms: | 28 |
| TPSA: | 95.7 | NumAromaticRings: | 3 |
