Glycoside
GD026778
Name:
NoneFormula:
C34H52O13N4Smiles:
COc1ccc(COC[C@@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4O)[C@@H](N)C[C@H]3N)[C@H](O)[C@H](N)[C@H]2OCc2ccc(OC)cc2)cc1Aglycone:
COCc1ccc(OC)cc1.COc1ccc(CO)cc1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.65 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 14 |
| MolWt: | 724.81 | Num_heavy_atoms: | 51 |
| TPSA: | 279.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD00337
Formula: C8H10O2
Smiles:
COc1ccc(CO)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD01396
Formula: C9H12O2
Smiles:
COCc1ccc(OC)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 152.19 | Num_heavy_atoms: | 11 |
| TPSA: | 18.46 | NumAromaticRings: | 1 |
