Glycoside

GD153537
Name:
11-(acetyloxy)-10-{[4,5-bis(acetyloxy)-3-hydroxyoxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C41H62O11Smiles:
CC(=O)OC1COC(OC2C(OC(C)=O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(O)C1OC(C)=OAglycone:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C)C1OSugarmoiety:
CC(=O)OC1COC(O)C(O)C1OC(C)=OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.85 |
AlogP: | 6.38 | Num_rotatable_bonds: | 6 |
MolWt: | 730.94 | Num_heavy_atoms: | 52 |
TPSA: | 154.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD46966
Formula: C32H50O5
Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C)C1OHBA: | 5 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.88 |
AlogP: | 6.78 | Num_rotatable_bonds: | 2 |
MolWt: | 514.75 | Num_heavy_atoms: | 37 |
TPSA: | 83.83 | NumAromaticRings: | 0 |