Glycoside
GD130084
Name:
3,5a-dimethyl-2-oxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-6-yl 2-(4-hydroxyphenyl)acetateFormula:
C29H38O11Smiles:
CC1C(=O)OC2C1CCC1(C)C(OC(=O)Cc3ccc(O)cc3)CC=C(COC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1C(=O)OC2C1CCC1(C)C(OC(=O)Cc3ccc(O)cc3)CC=C(CO)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.66 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 562.61 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD52702
Formula: C23H28O6
Smiles:
CC1C(=O)OC2C1CCC1(C)C(OC(=O)Cc3ccc(O)cc3)CC=C(CO)C21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.47 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
