Glycoside
GD033294
Name:
NoneFormula:
C27H25O5N3Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](C)O[C@H]1n1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)CNC3=OAglycone:
O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21Sugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 471.51 | Num_heavy_atoms: | 35 |
| TPSA: | 108.74 | NumAromaticRings: | 5 |
Unique Aglycone
AD13787
Formula: C20H13ON3
Smiles:
O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 311.34 | Num_heavy_atoms: | 24 |
| TPSA: | 60.68 | NumAromaticRings: | 5 |
