Glycoside
GD131983
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C33H40O18Smiles:
CC1OC(Oc2ccc3c(=O)c(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 724.67 | Num_heavy_atoms: | 51 |
| TPSA: | 287.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00807
Formula: C15H10O5
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
