Glycoside
GD119812
Name:
3-(acetyloxy)-5-hydroxy-2-({5-hydroxy-4-oxo-2-phenyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl}oxy)-6-methyloxan-4-yl acetateFormula:
C31H34O15Smiles:
CC(=O)OC1C(Oc2c(-c3ccccc3)oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)OC(C)C(O)C1OC(C)=OAglycone:
O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 646.6 | Num_heavy_atoms: | 46 |
| TPSA: | 220.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD45672
Formula: C15H10O5
Smiles:
O=c1c(O)c(-c2ccccc2)oc2cc(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 |
