Glycoside
GD132777
Name:
3,5-dihydroxy-2-methyl-6-({3,4,5-trihydroxy-6-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl}methoxy)oxan-4-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H34O13Smiles:
CC1OC(OCC2OC(OC(=O)C=Cc3ccccc3)C(O)C(O)C2O)C(O)C(OC(=O)C=Cc2ccc(O)cc2)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccccc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 602.59 | Num_heavy_atoms: | 43 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
