Glycoside
GD155562
Name:
NoneFormula:
C30H34O15N5BrSmiles:
CC1(O)C2=Nc3c(O)nc(O)nc3NC(C(=O)OC3C(O)C(O)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2CC12C(O)=Nc1cc(Br)ccc12Aglycone:
CC1(O)C2=Nc3c(O)nc(O)nc3NC(C(=O)OC3C(O)C(O)C(O)C(O)C3O)C2CC12C(O)=Nc1cc(Br)ccc12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.57 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 784.53 | Num_heavy_atoms: | 51 |
| TPSA: | 329.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD61697
Formula: C25H26O11N5Br
Smiles:
CC1(O)C2=Nc3c(O)nc(O)nc3NC(C(=O)OC3C(O)C(O)C(O)C(O)C3O)C2CC12C(O)=Nc1cc(Br)ccc12| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 652.41 | Num_heavy_atoms: | 42 |
| TPSA: | 270.9 | NumAromaticRings: | 2 |
