Glycoside
GD017062
Name:
NoneFormula:
C31H31O12NSmiles:
O=C(O)c1cc(C(=O)NCCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1Aglycone:
O=C(O)c1cc(C(=O)NCCCCO)cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 609.58 | Num_heavy_atoms: | 44 |
| TPSA: | 216.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD12224
Formula: C25H21O7N
Smiles:
O=C(O)c1cc(C(=O)NCCCCO)cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.44 | Num_heavy_atoms: | 33 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
