Glycoside
GD024275
Name:
NoneFormula:
C40H36O10N2Br2Smiles:
CCOC(=O)C1(Br)C(c2ccccc2)NC(=O)N(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C1(C)BrAglycone:
CCOC(=O)C1(Br)C(c2ccccc2)NC(=O)NC1(C)Br.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 6.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 864.54 | Num_heavy_atoms: | 54 |
| TPSA: | 146.77 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD16217
Formula: C14H16O3N2Br2
Smiles:
CCOC(=O)C1(Br)C(c2ccccc2)NC(=O)NC1(C)Br| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.1 | Num_heavy_atoms: | 21 |
| TPSA: | 67.43 | NumAromaticRings: | 1 |
