Glycoside

GD129324
Name:
1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C36H56O11Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)OC6OC(CO)C(O)C(O)C6O)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.89 |
AlogP: | 2.53 | Num_rotatable_bonds: | 4 |
MolWt: | 664.83 | Num_heavy_atoms: | 47 |
TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD45785
Formula: C30H46O6
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)OHBA: | 6 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.87 |
AlogP: | 5.27 | Num_rotatable_bonds: | 2 |
MolWt: | 502.69 | Num_heavy_atoms: | 36 |
TPSA: | 115.06 | NumAromaticRings: | 0 |