Glycoside
GD155622
Name:
4-(2-hydroxyethyl)-2-methylidene-3-[({3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl}oxy)methyl]cyclopentyl 4-hydroxybenzoateFormula:
C29H34O12Smiles:
C=C1C(OC(=O)c2ccc(O)cc2)CC(CCO)C1COC1OC(COC(=O)c2ccc(O)cc2)C(O)C(O)C1OAglycone:
C=C1C(OC(=O)c2ccc(O)cc2)CC(CCO)C1CO.COC(=O)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 574.58 | Num_heavy_atoms: | 41 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD61717
Formula: C16H20O5
Smiles:
C=C1C(OC(=O)c2ccc(O)cc2)CC(CCO)C1CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 292.33 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
