Glycoside
GD141038
Name:
2-({6-[6,10-dihydroxy-7,12,16-trimethyl-7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl]-2-hydroxy-2-methylheptan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H72O15Smiles:
CC(CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(COC5OC(CO)C(O)C(O)C5O)C(O)CCC45CC35CCC12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(CO)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 12 |
| MolWt: | 817.02 | Num_heavy_atoms: | 57 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD56850
Formula: C30H52O5
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(CO)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
