Glycoside
GD147085
Name:
[13-(acetyloxy)-14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-16-yl]methyl acetateFormula:
C39H62O12Smiles:
CC(=O)OCC12CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CCC4C1(C)C(OC(C)=O)C(O)C2C1(C)CCC(C(C)(C)O)O1Aglycone:
CC(=O)OCC12CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C(OC(C)=O)C(O)C2C1(C)CCC(C(C)(C)O)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 722.91 | Num_heavy_atoms: | 51 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD58916
Formula: C34H54O8
Smiles:
CC(=O)OCC12CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C(OC(C)=O)C(O)C2C1(C)CCC(C(C)(C)O)O1| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 590.8 | Num_heavy_atoms: | 42 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
