Glycoside
GD093614
Name:
methyl 3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-{[(3-phenylprop-2-enoyl)oxy]methyl}oxan-2-yl)oxy]cyclohex-1-ene-1-carboxylateFormula:
C23H28O11Smiles:
COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)C1Aglycone:
COC(=O)C1=CC(O)C(O)C(O)C1.COC(=O)C=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD40432
Formula: C8H12O5
Smiles:
COC(=O)C1=CC(O)C(O)C(O)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 188.18 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
