Glycoside

GD123946
Name:
10-{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}-2,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,4a-dicarboxylic acidFormula:
C37H56O10Smiles:
CC(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C(=O)O)CCC5(C(=O)O)CCC34C)C2(C)C)OCC(O)C1OAglycone:
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.86 |
AlogP: | 5.33 | Num_rotatable_bonds: | 5 |
MolWt: | 660.85 | Num_heavy_atoms: | 47 |
TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD14065
Formula: C30H46O5
Smiles:
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 5 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.87 |
AlogP: | 6.3 | Num_rotatable_bonds: | 2 |
MolWt: | 486.69 | Num_heavy_atoms: | 35 |
TPSA: | 94.83 | NumAromaticRings: | 0 |