Glycoside
GD138447
Name:
[3,4,5-trihydroxy-6-({3-methylidene-4,13-dioxo-5,14-dioxatricyclo[10.2.1.0²,â¶]pentadeca-7,11-dien-8-yl}methoxy)oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetateFormula:
C29H32O12Smiles:
C=C1C(=O)OC2C=C(COC3OC(COC(=O)Cc4ccc(O)cc4)C(O)C(O)C3O)CCC=C3CC(OC3=O)C12Aglycone:
C=C1C(=O)OC2C=C(CO)CCC=C3CC(OC3=O)C12.COC(=O)Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.56 | Num_heavy_atoms: | 41 |
| TPSA: | 178.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD02427
Formula: C9H10O3
Smiles:
COC(=O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD55881
Formula: C15H16O5
Smiles:
C=C1C(=O)OC2C=C(CO)CCC=C3CC(OC3=O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
