Glycoside
GD135151
Name:
7-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)peroxy]-5-hydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)peroxy]-4H-chromen-4-oneFormula:
C33H40O21Smiles:
CC1OC(OOc2c(-c3ccc(O)cc3)oc3cc(OOC4OC(C)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)cc(O)c3c2=O)C(O)C(O)C1OAglycone:
O=c1c(OO)c(-c2ccc(O)cc2)oc2cc(OO)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 772.66 | Num_heavy_atoms: | 54 |
| TPSA: | 326.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD54658
Formula: C15H10O8
Smiles:
O=c1c(OO)c(-c2ccc(O)cc2)oc2cc(OO)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
