Glycoside

GD141953
Name:
2-(hydroxymethyl)-6-[(2-methyl-6-{4,6,14-trihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl}hept-2-en-1-yl)oxy]oxane-3,4,5-triolFormula:
C36H60O9Smiles:
CC(=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CC(O)C45CC35CCC12C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CC(O)C45CC35CCC12C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.94 |
AlogP: | 2.91 | Num_rotatable_bonds: | 8 |
MolWt: | 636.87 | Num_heavy_atoms: | 45 |
TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD57149
Formula: C30H50O4
Smiles:
CC(=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CC(O)C45CC35CCC12C)COHBA: | 4 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.93 |
AlogP: | 5.08 | Num_rotatable_bonds: | 5 |
MolWt: | 474.73 | Num_heavy_atoms: | 34 |
TPSA: | 80.92 | NumAromaticRings: | 0 |