Glycoside
GD127989
Name:
2-[4-(4-{3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-2,5-bis(4-hydroxyphenyl)oxolan-3-yl)-2,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H44O17Smiles:
OCC1OC(c2c(O)cc(C3C(c4ccc(O)cc4)OC(c4ccc(O)cc4)C3c3cc(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c3)cc2O)C(O)C(O)C1OAglycone:
Oc1ccc(C2OC(c3ccc(O)cc3)C(c3cc(O)cc(O)c3)C2c2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.4 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 796.78 | Num_heavy_atoms: | 57 |
| TPSA: | 310.91 | NumAromaticRings: | 4 |
Unique Aglycone
AD51850
Formula: C28H24O7
Smiles:
Oc1ccc(C2OC(c3ccc(O)cc3)C(c3cc(O)cc(O)c3)C2c2cc(O)cc(O)c2)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.14 |
| AlogP: | 5.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.49 | Num_heavy_atoms: | 35 |
| TPSA: | 130.61 | NumAromaticRings: | 4 |
