Glycoside
GD129993
Name:
3-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}phenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C33H40O19Smiles:
CC1OC(OC2C(Oc3ccc(-c4coc5cc(OC6OC(CO)C(O)C(O)C6O)cc(O)c5c4=O)cc3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -3.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 740.66 | Num_heavy_atoms: | 52 |
| TPSA: | 308.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD02603
Formula: C15H10O5
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12| 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 |
