Glycoside
GD025893
Name:
NoneFormula:
C31H31O8NSSmiles:
COc1cc(OC)c(-c2cc3ccccc3s2)cc1C=CC(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
COc1cc(OC)c(-c2cc3ccccc3s2)cc1C=CC(=O)c1ccc(N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 577.66 | Num_heavy_atoms: | 41 |
| TPSA: | 137.71 | NumAromaticRings: | 4 |
Unique Aglycone
AD17114
Formula: C25H21O3NS
Smiles:
COc1cc(OC)c(-c2cc3ccccc3s2)cc1C=CC(=O)c1ccc(N)cc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.51 | Num_heavy_atoms: | 30 |
| TPSA: | 61.55 | NumAromaticRings: | 4 |
