Glycoside

GD147160
Name:
2-(hydroxymethyl)-6-[(5,8,10-trihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]oxane-3,4,5-triolFormula:
C36H60O9Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5C(O)CC4(C)C3(C)CC(O)C2(C)CC1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC4(C)C3(C)CC(O)C2(C)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.94 |
AlogP: | 2.91 | Num_rotatable_bonds: | 3 |
MolWt: | 636.87 | Num_heavy_atoms: | 45 |
TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD58946
Formula: C30H50O4
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC4(C)C3(C)CC(O)C2(C)CC1OHBA: | 4 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.93 |
AlogP: | 5.08 | Num_rotatable_bonds: | 0 |
MolWt: | 474.73 | Num_heavy_atoms: | 34 |
TPSA: | 80.92 | NumAromaticRings: | 0 |