Glycoside

GD151524
Name:
14-cyclobutyl-6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7,12-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dioneFormula:
C39H69O12NSmiles:
COC1(C)CC(OC2C(C)C(=O)OC(C3CCC3)C(C)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1OAglycone:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(C3CCC3)C(C)C(O)C(C)C(=O)C(C)CC2(C)O)O1Sugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.95 |
AlogP: | 3.06 | Num_rotatable_bonds: | 7 |
MolWt: | 743.98 | Num_heavy_atoms: | 52 |
TPSA: | 173.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60420
Formula: C31H55O9N
Smiles:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(C3CCC3)C(C)C(O)C(C)C(=O)C(C)CC2(C)O)O1HBA: | 10 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.94 |
AlogP: | 2.14 | Num_rotatable_bonds: | 4 |
MolWt: | 585.78 | Num_heavy_atoms: | 41 |
TPSA: | 145.99 | NumAromaticRings: | 0 |