Glycoside
GD009385
Name:
NoneFormula:
C31H31O5N5Smiles:
Nc1cc2c(nnn2C2OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)c(=O)[nH]1Aglycone:
COCc1ccccc1.Nc1cc2c(c(=O)[nH]1)N=N[N]2.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 11 |
| MolWt: | 553.62 | Num_heavy_atoms: | 41 |
| TPSA: | 126.51 | NumAromaticRings: | 5 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD07361
Formula: C5H4ON5
Smiles:
Nc1cc2c(c(=O)[nH]1)N=N[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 97.7 | NumAromaticRings: | 1 |
