Glycoside
GD004817
Name:
NoneFormula:
C32H30O5N4Smiles:
C=CCn1cnc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H]2O)c1=OAglycone:
C=CCn1cnc2c(c1=O)N=C[N]2.COC(c1ccccc1)(c1ccccc1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 550.62 | Num_heavy_atoms: | 41 |
| TPSA: | 111.63 | NumAromaticRings: | 5 |
Unique Aglycone
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD04160
Formula: C8H7ON4
Smiles:
C=CCn1cnc2c(c1=O)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 175.17 | Num_heavy_atoms: | 13 |
| TPSA: | 61.35 | NumAromaticRings: | 1 |
