Glycoside
GD014382
Name:
NoneFormula:
C30H37O10NSSmiles:
COc1ccc2c3c1O[C@@H]1C(SC4OC(CO)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C=C[C@@H]4[C@H](C2)N(C)CC[C@]314Aglycone:
COc1ccc2c3c1OC1C(S)C=CC4C(C2)N(C)CCC341Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 603.69 | Num_heavy_atoms: | 42 |
| TPSA: | 130.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD10579
Formula: C18H21O2NS
Smiles:
COc1ccc2c3c1OC1C(S)C=CC4C(C2)N(C)CCC341| HBA: | 3 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 315.44 | Num_heavy_atoms: | 22 |
| TPSA: | 21.7 | NumAromaticRings: | 1 |
