Glycoside
GD018854
Name:
NoneFormula:
C30H39O11NS2Smiles:
CCSSC(CCOC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1)=C(C)N(C=O)CC(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCSSC(CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1)=C(C)N(C=O)CC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 15 |
| MolWt: | 653.77 | Num_heavy_atoms: | 44 |
| TPSA: | 172.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD13225
Formula: C25H31O6NS2
Smiles:
CCSSC(CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1)=C(C)N(C=O)CC(=O)OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 13 |
| MolWt: | 505.66 | Num_heavy_atoms: | 34 |
| TPSA: | 82.14 | NumAromaticRings: | 2 |
