Glycoside
GD007748
Name:
NoneFormula:
C28H27O5N3Smiles:
Nc1cn(C2OC(CC(c3ccccc3)(c3ccccc3)c3ccccc3)C(O)C2O)c(=O)[nH]c1=OAglycone:
CC(c1ccccc1)(c1ccccc1)c1ccccc1.Nc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.54 | Num_heavy_atoms: | 36 |
| TPSA: | 130.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD02435
Formula: C4H5O2N3
Smiles:
Nc1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 127.1 | Num_heavy_atoms: | 9 |
| TPSA: | 91.74 | NumAromaticRings: | 1 |
AD06278
Formula: C20H18
Smiles:
CC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 0 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.36 | Num_heavy_atoms: | 20 |
| TPSA: | 0.0 | NumAromaticRings: | 3 |
