Glycoside
GD140142
Name:
8-hydroxy-12-methylidene-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,14-dioxatetracyclo[6.5.2.0¹,âµ.0â¹,¹³]pentadeca-4,6-dien-3-oneFormula:
C22H28O10Smiles:
C=C1CCC2C1C13OCC2(O)C=CC1=C(CCOC1OC(CO)C(O)C(O)C1O)C(=O)O3Aglycone:
C=C1CCC2C1C13OCC2(O)C=CC1=C(CCO)C(=O)O3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.46 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD56502
Formula: C16H18O5
Smiles:
C=C1CCC2C1C13OCC2(O)C=CC1=C(CCO)C(=O)O3| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.31 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
