Glycoside

GD152144
Name:
2,5-bis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.3.1.0³,â¸]pentadec-11-en-14-yl 2-methylbutanoateFormula:
C35H54O12Smiles:
C=C1C(OC(C)=O)CCC2(C)CC(OC3OC(CO)C(O)C(O)C3O)C3=C(C)CC(OC(=O)C(C)CC)C(C(OC(C)=O)C12)C3(C)CAglycone:
C=C1C(OC(C)=O)CCC2(C)CC(O)C3=C(C)CC(OC(=O)C(C)CC)C(C(OC(C)=O)C12)C3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.8 |
AlogP: | 2.73 | Num_rotatable_bonds: | 8 |
MolWt: | 666.81 | Num_heavy_atoms: | 47 |
TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD60605
Formula: C29H44O7
Smiles:
C=C1C(OC(C)=O)CCC2(C)CC(O)C3=C(C)CC(OC(=O)C(C)CC)C(C(OC(C)=O)C12)C3(C)CHBA: | 7 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.76 |
AlogP: | 4.91 | Num_rotatable_bonds: | 5 |
MolWt: | 504.66 | Num_heavy_atoms: | 36 |
TPSA: | 99.13 | NumAromaticRings: | 0 |