Glycoside

GD150409
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C36H56O10Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.89 |
AlogP: | 2.64 | Num_rotatable_bonds: | 3 |
MolWt: | 648.83 | Num_heavy_atoms: | 46 |
TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD60084
Formula: C30H46O5
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC43C)C2C1(C)OHBA: | 5 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.87 |
AlogP: | 5.38 | Num_rotatable_bonds: | 1 |
MolWt: | 486.69 | Num_heavy_atoms: | 35 |
TPSA: | 94.83 | NumAromaticRings: | 0 |