Glycoside
GD140856
Name:
(R)-2'-Hydroxy-Justirumalin 4-Alpha-L-RhamnopyranosideFormula:
C26H22O12Smiles:
CC1OC(Oc2c3c(c(-c4cc5c(cc4O)OCO5)c4c5c(ccc24)OCO5)C(=O)OC3)C(O)C(O)C1OAglycone:
O=C1OCc2c1c(-c1cc3c(cc1O)OCO3)c1c3c(ccc1c2O)OCO3Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 526.45 | Num_heavy_atoms: | 38 |
| TPSA: | 162.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD50805
Formula: C20H12O8
Smiles:
O=C1OCc2c1c(-c1cc3c(cc1O)OCO3)c1c3c(ccc1c2O)OCO3| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 380.31 | Num_heavy_atoms: | 28 |
| TPSA: | 103.68 | NumAromaticRings: | 3 |
