Glycoside

GD135165
Name:
7-hydroxy-3a,3b,6,9a-tetramethyl-1-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-11-oneFormula:
C35H58O8Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)C3CCC12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.91 |
AlogP: | 4.14 | Num_rotatable_bonds: | 7 |
MolWt: | 606.84 | Num_heavy_atoms: | 43 |
TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD54665
Formula: C29H48O3
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)C3CCC12CHBA: | 3 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.9 |
AlogP: | 6.32 | Num_rotatable_bonds: | 4 |
MolWt: | 444.7 | Num_heavy_atoms: | 32 |
TPSA: | 57.53 | NumAromaticRings: | 0 |