Glycoside

GD117887
Name:
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 11-(acetyloxy)-1,10-dihydroxy-1,2,6a,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-carboxylateFormula:
C38H60O11Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)OCC5OC(O)C(O)C(O)C5O)(CCC(C)C4(C)O)CCC23C)C(C)(C)C1OAglycone:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CC(OC(C)=O)C(O)C(C)(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.89 |
AlogP: | 3.0 | Num_rotatable_bonds: | 4 |
MolWt: | 692.89 | Num_heavy_atoms: | 49 |
TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD47066
Formula: C33H52O6
Smiles:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CC(OC(C)=O)C(O)C(C)(C)C4CCC3(C)C1(C)CC2HBA: | 6 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.88 |
AlogP: | 5.83 | Num_rotatable_bonds: | 2 |
MolWt: | 544.77 | Num_heavy_atoms: | 39 |
TPSA: | 93.06 | NumAromaticRings: | 0 |