Glycoside
GD146068
Name:
2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5-hydroxy-8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C37H48O16Smiles:
CC(C)=CCc1cc(C2Oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C(=O)C2OC2OC(C)C(O)C(O)C2O)cc(O)c1OAglycone:
CC(C)=CCc1cc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2O)cc(O)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.54 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 748.78 | Num_heavy_atoms: | 53 |
| TPSA: | 265.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD52765
Formula: C25H28O7
Smiles:
CC(C)=CCc1cc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2O)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.49 | Num_heavy_atoms: | 32 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
