Glycoside

GD126526
Name:
5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl formateFormula:
C36H58O11Smiles:
CC1(C)CCC2(OC=O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(OC=O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.92 |
AlogP: | 1.81 | Num_rotatable_bonds: | 6 |
MolWt: | 666.85 | Num_heavy_atoms: | 47 |
TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51204
Formula: C30H48O6
Smiles:
CC1(C)CCC2(OC=O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1HBA: | 6 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.9 |
AlogP: | 3.99 | Num_rotatable_bonds: | 3 |
MolWt: | 504.71 | Num_heavy_atoms: | 36 |
TPSA: | 107.22 | NumAromaticRings: | 0 |