Glycoside
GD140000
Name:
8-hydroxy-6,7,13-trimethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,9-dioxatetracyclo[6.5.1.0¹,¹â°.0â¶,¹â°]tetradecan-3-oneFormula:
C21H32O10Smiles:
CC1C2(O)OC34CCC(C)C3(CC(=O)OCC14C)C2OC1OC(CO)C(O)C(O)C1OAglycone:
CC1C2(O)OC34CCC(C)C3(CC(=O)OCC14C)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 444.48 | Num_heavy_atoms: | 31 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD56448
Formula: C15H22O5
Smiles:
CC1C2(O)OC34CCC(C)C3(CC(=O)OCC14C)C2O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
