Glycoside
GD136888
Name:
4,5-dihydroxy-2-({4-hydroxy-3,6-dimethyl-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-9-yl}methoxy)-6-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetateFormula:
C29H34O12Smiles:
CC1=C2C(=O)C=C(COC3OC(CO)C(O)C(O)C3OC(=O)Cc3ccc(O)cc3)C2C2OC(=O)C(C)C2C(O)C1Aglycone:
CC1=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C2C(O)C1.O=C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 7 |
| 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 |
AD38889
Formula: C15H18O5
Smiles:
CC1=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C2C(O)C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.3 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
