Glycoside
GD116461
Name:
2-{[7-hydroxy-8-(5-hydroxy-4-methylpent-3-en-1-yl)-8-(hydroxymethyl)-1,4a,10a,10b-tetramethyl-1-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octadecahydrochrysen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H72O15Smiles:
CC(=CCCC1(CO)CCC2(C)C(CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(COC5OC(CO)C(O)C(O)C5O)C4CCC32C)C1O)COAglycone:
CC(=CCCC1(CO)CCC2(C)C(CCC3C4(C)CCC(O)C(C)(CO)C4CCC32C)C1O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 817.02 | Num_heavy_atoms: | 57 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45291
Formula: C30H52O5
Smiles:
CC(=CCCC1(CO)CCC2(C)C(CCC3C4(C)CCC(O)C(C)(CO)C4CCC32C)C1O)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
