Glycoside
GD147658
Name:
[5-({3,5-dihydroxy-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-4-yl}oxy)-3,4-dihydroxyoxolan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C24H32O15Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1COC(OC2COC(O)C(O)C2O)C(O)C1OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 560.51 | Num_heavy_atoms: | 39 |
| TPSA: | 234.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
