Glycoside

GD153585
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C36H56O10Smiles:
C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1CAglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.86 |
AlogP: | 2.21 | Num_rotatable_bonds: | 4 |
MolWt: | 648.83 | Num_heavy_atoms: | 46 |
TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD61065
Formula: C30H46O5
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1CHBA: | 5 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.83 |
AlogP: | 4.95 | Num_rotatable_bonds: | 2 |
MolWt: | 486.69 | Num_heavy_atoms: | 35 |
TPSA: | 97.99 | NumAromaticRings: | 0 |