Glycoside
GD138209
Name:
EchinothiopheneFormula:
C23H26O10SSmiles:
O=C1OC(C=CC=CCCO)c2c(OC3OC(CO)C(O)C(O)C3O)cc3cc(CO)sc3c21Aglycone:
O=C1OC(C=CC=CCCO)c2c(O)cc3cc(CO)sc3c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.52 | Num_heavy_atoms: | 34 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD55809
Formula: C17H16O5S
Smiles:
O=C1OC(C=CC=CCCO)c2c(O)cc3cc(CO)sc3c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.38 | Num_heavy_atoms: | 23 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
