Glycoside
GD036950
Name:
NoneFormula:
C27H30O12S3Smiles:
COc1cc([C@@H]2c3cc4c(cc3[C@H](SSS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OAglycone:
COc1cc(C2c3cc4c(cc3C(SSS)C3COC(=O)C23)OCO4)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.73 | Num_heavy_atoms: | 42 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD23295
Formula: C21H20O7S3
Smiles:
COc1cc(C2c3cc4c(cc3C(SSS)C3COC(=O)C23)OCO4)cc(OC)c1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.59 | Num_heavy_atoms: | 31 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
