Glycoside

GD139534
Name:
2-{[3b,6,6,7,9a,11a-hexamethyl-1-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1H,2H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl]oxy}-6-ethyloxane-3,4,5-triolFormula:
C38H66O8Smiles:
CCC1OC(OC2CC3C(C)(C)C(C)CCC3(C)C3CCC4(C)C(=CCC4C(C)CC(O)C(O)C(C)(C)O)C23C)C(O)C(O)C1OAglycone:
CC(CC(O)C(O)C(C)(C)O)C1CC=C2C1(C)CCC1C3(C)CCC(C)C(C)(C)C3CC(O)C21CSugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.95 |
AlogP: | 4.96 | Num_rotatable_bonds: | 8 |
MolWt: | 650.94 | Num_heavy_atoms: | 46 |
TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD56265
Formula: C31H54O4
Smiles:
CC(CC(O)C(O)C(C)(C)O)C1CC=C2C1(C)CCC1C3(C)CCC(C)C(C)(C)C3CC(O)C21CHBA: | 4 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.94 |
AlogP: | 5.72 | Num_rotatable_bonds: | 5 |
MolWt: | 490.77 | Num_heavy_atoms: | 35 |
TPSA: | 80.92 | NumAromaticRings: | 0 |