Glycoside

GD131425
Name:
2-{[5,10-dihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H60O10Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)CC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 8 | FractionCSP3: | 0.94 |
AlogP: | 1.88 | Num_rotatable_bonds: | 5 |
MolWt: | 652.87 | Num_heavy_atoms: | 46 |
TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD52275
Formula: C30H50O5
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)CC1OHBA: | 5 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.93 |
AlogP: | 4.06 | Num_rotatable_bonds: | 2 |
MolWt: | 490.73 | Num_heavy_atoms: | 35 |
TPSA: | 101.15 | NumAromaticRings: | 0 |