Glycoside

GD153458
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,11,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C37H60O10Smiles:
CC1CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)OC5OC(CO)C(O)C(O)C5O)(CCC(C)C4(C)O)CCC23C)C(C)(CO)C1OAglycone:
CC1CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)O)(CCC(C)C4(C)O)CCC23C)C(C)(CO)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.92 |
AlogP: | 2.68 | Num_rotatable_bonds: | 4 |
MolWt: | 664.88 | Num_heavy_atoms: | 47 |
TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD61032
Formula: C31H50O5
Smiles:
CC1CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)O)(CCC(C)C4(C)O)CCC23C)C(C)(CO)C1OHBA: | 5 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.9 |
AlogP: | 5.42 | Num_rotatable_bonds: | 2 |
MolWt: | 502.74 | Num_heavy_atoms: | 36 |
TPSA: | 97.99 | NumAromaticRings: | 0 |