Glycoside

GD134207
Name:
2-[(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]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C38H62O7Smiles:
CC(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C)CCC34C)C2(C)C)OC(CO)C(O)C1OAglycone:
CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
HBA: | 7 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 0.92 |
AlogP: | 6.56 | Num_rotatable_bonds: | 4 |
MolWt: | 630.91 | Num_heavy_atoms: | 45 |
TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD52560
Formula: C30H50O
Smiles:
CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 1 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.93 |
AlogP: | 8.17 | Num_rotatable_bonds: | 0 |
MolWt: | 426.73 | Num_heavy_atoms: | 31 |
TPSA: | 20.23 | NumAromaticRings: | 0 |