Glycoside
GD005309
Name:
NoneFormula:
C27H20O8N2Br2Smiles:
CO[C@@H]1[C@H](CO)O[C@H](n2c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6[nH]c5c32)C(=O)OC4=O)[C@H](O)[C@H]1OAglycone:
O=C1OC(=O)c2c1c1c3cc(Br)ccc3[nH]c1c1[nH]c3ccc(Br)cc3c21Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 660.27 | Num_heavy_atoms: | 39 |
| TPSA: | 143.24 | NumAromaticRings: | 5 |
Unique Aglycone
AD04532
Formula: C20H8O3N2Br2
Smiles:
O=C1OC(=O)c2c1c1c3cc(Br)ccc3[nH]c1c1[nH]c3ccc(Br)cc3c21| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 484.1 | Num_heavy_atoms: | 27 |
| TPSA: | 74.95 | NumAromaticRings: | 5 |
