Glycoside

GD157770
Name:
methyl 5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C37H60O11Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(OC5OC(CO)C(O)C(O)C5O)C(C)(CO)C4CCC3(C)C1(C)CC2OAglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.92 |
AlogP: | 2.06 | Num_rotatable_bonds: | 5 |
MolWt: | 680.88 | Num_heavy_atoms: | 48 |
TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD49811
Formula: C31H50O6
Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2OHBA: | 6 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.9 |
AlogP: | 4.24 | Num_rotatable_bonds: | 2 |
MolWt: | 518.74 | Num_heavy_atoms: | 37 |
TPSA: | 107.22 | NumAromaticRings: | 0 |