Glycoside

GD148706
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]oxan-2-yl]oxy}-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylic acidFormula:
C30H46O10Smiles:
C=C1C2CCC3C4(C)CC(OC5OC(CO)C(O)C(O)C5OC(=O)CC(C)C)CC(C(=O)O)C4CCC3(C2)C1OAglycone:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)C4CCC3(C2)C1O.CC(C)CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.87 |
AlogP: | 2.01 | Num_rotatable_bonds: | 7 |
MolWt: | 566.69 | Num_heavy_atoms: | 40 |
TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=O)OHBA: | 2 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 0.8 |
AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
MolWt: | 102.13 | Num_heavy_atoms: | 7 |
TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01409
Formula: C19H28O4
Smiles:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)C4CCC3(C2)C1OHBA: | 4 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.84 |
AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
MolWt: | 320.43 | Num_heavy_atoms: | 23 |
TPSA: | 77.76 | NumAromaticRings: | 0 |