Glycoside
GD013886
Name:
NoneFormula:
C33H32O9N3BrSmiles:
COC1C(CO)OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(CCCCOC(=O)CBr)C4=O)C(O)C1OAglycone:
O=C(CBr)OCCCCN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 694.54 | Num_heavy_atoms: | 46 |
| TPSA: | 163.55 | NumAromaticRings: | 5 |
Unique Aglycone
AD10297
Formula: C26H20O4N3Br
Smiles:
O=C(CBr)OCCCCN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.37 | Num_heavy_atoms: | 34 |
| TPSA: | 95.26 | NumAromaticRings: | 5 |
