Glycoside
GD003009
Name:
NoneFormula:
C22H25O6N3Smiles:
Cc1cccc(-n2c(C)nc3ccc(NC4OC(CO)C(O)C(O)C4O)cc3c2=O)c1Aglycone:
Cc1cccc(-n2c(C)nc3ccc(N)cc3c2=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 427.46 | Num_heavy_atoms: | 31 |
| TPSA: | 137.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD02273
Formula: C16H15ON3
Smiles:
Cc1cccc(-n2c(C)nc3ccc(N)cc3c2=O)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 265.32 | Num_heavy_atoms: | 20 |
| TPSA: | 60.91 | NumAromaticRings: | 3 |
