Glycoside
GD006539
Name:
NoneFormula:
C29H25O9N5Smiles:
N#CCCNN1C(=O)c2c(c3c4cccc(O)c4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4c(O)cccc4c23)C1=OAglycone:
N#CCCNN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 587.55 | Num_heavy_atoms: | 43 |
| TPSA: | 224.53 | NumAromaticRings: | 5 |
Unique Aglycone
AD05401
Formula: C23H15O4N5
Smiles:
N#CCCNN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.09 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 425.4 | Num_heavy_atoms: | 32 |
| TPSA: | 145.24 | NumAromaticRings: | 5 |
