Glycoside
GD134914
Name:
5-(acetyloxy)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl acetateFormula:
C31H34O17Smiles:
CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)C(OC(C)=O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.6 | Num_heavy_atoms: | 48 |
| TPSA: | 261.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
