Glycoside
GD118993
Name:
2-{[2-({2-[4-(3,4-dihydroxyphenyl)-1-hydroxybut-3-en-1-yl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-4-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H48O19Smiles:
CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(C(O)CC=Cc3ccc(O)c(O)c3)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
OCCC=Cc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.6 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 13 |
| MolWt: | 772.75 | Num_heavy_atoms: | 54 |
| TPSA: | 318.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD47624
Formula: C10H12O3
Smiles:
OCCC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
