Glycoside
GD020048
Name:
NoneFormula:
C28H23O7N3Br2Smiles:
COC1C(CO)OC(n2c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6[nH]c5c32)C(=O)N(C)C4=O)C(O)C1OAglycone:
CN1C(=O)c2c(c3c4cc(Br)ccc4[nH]c3c3[nH]c4ccc(Br)cc4c23)C1=OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 673.31 | Num_heavy_atoms: | 40 |
| TPSA: | 137.25 | NumAromaticRings: | 5 |
Unique Aglycone
AD13900
Formula: C21H11O2N3Br2
Smiles:
CN1C(=O)c2c(c3c4cc(Br)ccc4[nH]c3c3[nH]c4ccc(Br)cc4c23)C1=O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 497.15 | Num_heavy_atoms: | 28 |
| TPSA: | 68.96 | NumAromaticRings: | 5 |
