Glycoside

GD144267
Name:
10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C36H58O11Smiles:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 8 | FractionCSP3: | 0.92 |
AlogP: | 1.97 | Num_rotatable_bonds: | 5 |
MolWt: | 666.85 | Num_heavy_atoms: | 47 |
TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD46389
Formula: C30H48O6
Smiles:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OHBA: | 6 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.9 |
AlogP: | 4.15 | Num_rotatable_bonds: | 2 |
MolWt: | 504.71 | Num_heavy_atoms: | 36 |
TPSA: | 118.22 | NumAromaticRings: | 0 |