Glycoside
GD146078
Name:
6-({6-formyl-4-hydroxy-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-10-yl}methoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetateFormula:
C29H34O12Smiles:
C=C1C(=O)OC2C=C(COC3OC(CO)C(OC(=O)Cc4ccc(O)cc4)C(O)C3O)CCC=C(C=O)CC(O)C12Aglycone:
C=C1C(=O)OC2C=C(CO)CCC=C(C=O)CC(O)C12.O=C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 574.58 | Num_heavy_atoms: | 41 |
| TPSA: | 189.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD05358
Formula: C8H8O3
Smiles:
O=C(O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD51119
Formula: C15H18O5
Smiles:
C=C1C(=O)OC2C=C(CO)CCC=C(C=O)CC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.3 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
