Glycoside
GD113711
Name:
NoneFormula:
C47H40O6N2Smiles:
O=c1ccn([C@@H]2O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O)c(=O)[nH]1Aglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.O=c1cc[nH]c(=O)[nH]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 7.18 | Num_rotatable_bonds: | 12 |
| MolWt: | 728.85 | Num_heavy_atoms: | 55 |
| TPSA: | 102.78 | NumAromaticRings: | 7 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD02784
Formula: C19H16O
Smiles:
OC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.34 | Num_heavy_atoms: | 20 |
| TPSA: | 20.23 | NumAromaticRings: | 3 |
