Glycoside
GD123682
Name:
4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}pentanoic acidFormula:
C20H26O12Smiles:
O=C(O)CC(OC1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O)C(O)COAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(O)CC(O)C(O)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 458.42 | Num_heavy_atoms: | 32 |
| TPSA: | 203.44 | 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 |
AD49935
Formula: C5H10O5
Smiles:
O=C(O)CC(O)C(O)CO| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 150.13 | Num_heavy_atoms: | 10 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
