Glycoside
GD118025
Name:
NoneFormula:
C32H39O11N3Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C1)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 641.67 | Num_heavy_atoms: | 46 |
| TPSA: | 212.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD47135
Formula: C26H27O5N3
Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 461.52 | Num_heavy_atoms: | 34 |
| TPSA: | 112.98 | NumAromaticRings: | 4 |
