Glycoside

GD130854
Name:
2-{[2,8,8a-trihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H58O10Smiles:
CC1(C)CCC2(O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 8 | FractionCSP3: | 0.94 |
AlogP: | 1.63 | Num_rotatable_bonds: | 4 |
MolWt: | 638.84 | Num_heavy_atoms: | 45 |
TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD53021
Formula: C29H48O5
Smiles:
CC1(C)CCC2(O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1HBA: | 5 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.93 |
AlogP: | 3.81 | Num_rotatable_bonds: | 1 |
MolWt: | 476.7 | Num_heavy_atoms: | 34 |
TPSA: | 101.15 | NumAromaticRings: | 0 |