Glycoside
GD133797
Name:
12-hydroxy-2,13,14-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10-dioxatetracyclo[5.3.3.1²,âµ.0¹,â·]tetradecan-9-oneFormula:
C21H32O10Smiles:
CC1C2(OC3OC(CO)C(O)C(O)C3O)CC34CC(=O)OC3(CC(O)C4C)C1(C)CO2Aglycone:
CC1C2(O)CC34CC(=O)OC3(CC(O)C4C)C1(C)CO2Sugarmoiety:
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
AD54137
Formula: C15H22O5
Smiles:
CC1C2(O)CC34CC(=O)OC3(CC(O)C4C)C1(C)CO2| 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 |
