Glycoside
GD127147
Name:
methyl 4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}pentanoateFormula:
C21H28O12Smiles:
COC(=O)CC(OC1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O)C(O)COAglycone:
COC(=O)C=Cc1ccc(O)cc1.COC(=O)CC(O)C(O)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 472.44 | Num_heavy_atoms: | 33 |
| TPSA: | 192.44 | 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 |
AD51477
Formula: C6H12O5
Smiles:
COC(=O)CC(O)C(O)CO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 164.16 | Num_heavy_atoms: | 11 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
