Glycoside
GD008663
Name:
NoneFormula:
C43H37O12NSmiles:
COc1ccc(OC)c([C@@H]2O[C@H](CNC(=O)c3ccccc3C(=O)O)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1Aglycone:
CNC(=O)c1ccccc1C(=O)O.COc1ccc(OC)cc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 5.95 | Num_rotatable_bonds: | 13 |
| MolWt: | 759.76 | Num_heavy_atoms: | 56 |
| TPSA: | 172.99 | NumAromaticRings: | 5 |
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 |
AD06389
Formula: C9H9O3N
Smiles:
CNC(=O)c1ccccc1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.17 | Num_heavy_atoms: | 13 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
AD06890
Formula: C8H10O2
Smiles:
COc1ccc(OC)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 18.46 | NumAromaticRings: | 1 |
