Glycoside
GD130035
Name:
3-[7-(3,4-dihydroxyphenyl)-4-hydroxy-5-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8-dihydronaphthalen-1-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C37H30O15Smiles:
O=C1C=C(c2ccc(O)c(O)c2)Cc2c1c(O)cc(OC1OC(CO)C(O)C(O)C1O)c2-c1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=OAglycone:
O=C1C=C(c2ccc(O)c(O)c2)Cc2c1c(O)cc(O)c2-c1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.19 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 714.63 | Num_heavy_atoms: | 52 |
| TPSA: | 268.04 | NumAromaticRings: | 5 |
Unique Aglycone
AD52686
Formula: C31H20O10
Smiles:
O=C1C=C(c2ccc(O)c(O)c2)Cc2c1c(O)cc(O)c2-c1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.03 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 552.49 | Num_heavy_atoms: | 41 |
| TPSA: | 188.89 | NumAromaticRings: | 5 |
