Glycoside
GD130197
Name:
7-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)peroxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)peroxy]-4H-chromen-4-oneFormula:
C33H40O22Smiles:
CC1OC(OOc2c(-c3ccc(O)c(O)c3)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)c(O)c2)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: | 22 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 788.66 | Num_heavy_atoms: | 55 |
| TPSA: | 346.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD52756
Formula: C15H10O9
Smiles:
O=c1c(OO)c(-c2ccc(O)c(O)c2)oc2cc(OO)cc(O)c12| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.24 | Num_heavy_atoms: | 24 |
| TPSA: | 149.82 | NumAromaticRings: | 3 |
