Glycoside
GD020089
Name:
2-[(4,5-dihydroxy-2-{[7-hydroxy-8-(5-hydroxy-4-methylpent-3-en-1-yl)-8-(hydroxymethyl)-1,1,4a,10a,10b-pentamethyl-octadecahydrochrysen-2-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H72O14Smiles:
CC(=CCC[C@@]1(CO)CC[C@]2(C)[C@H](CC[C@@H]3[C@]4(C)CC[C@H](OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)[C@H]4CC[C@]32C)[C@H]1O)COAglycone:
CC(=CCCC1(CO)CCC2(C)C(CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C1O)COSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 801.02 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD13926
Formula: C30H52O4
Smiles:
CC(=CCCC1(CO)CCC2(C)C(CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C1O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
