Glycoside
GD152981
Name:
2-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H40O16Smiles:
CC1OC(OC2C(O)C(CO)OC(OCC=Cc3ccc(O)cc3)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
OCC=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -4.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 620.6 | Num_heavy_atoms: | 43 |
| TPSA: | 257.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD16632
Formula: C9H10O2
Smiles:
OCC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
