Glycoside
GD035056
Name:
NoneFormula:
C32H31O10N5Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(CNc3c4ccccc4nc4c3oc3ccccc34)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
C1=C(CNc2c3ccccc3nc3c2oc2ccccc23)N=N[N]1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 645.63 | Num_heavy_atoms: | 47 |
| TPSA: | 183.2 | NumAromaticRings: | 5 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD06477
Formula: C18H12ON5
Smiles:
C1=C(CNc2c3ccccc3nc3c2oc2ccccc23)N=N[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.33 | Num_heavy_atoms: | 24 |
| TPSA: | 76.88 | NumAromaticRings: | 4 |
