Glycoside

GD137711
Name:
{6-[(6-{3,3b,5,6,7-pentahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptyl)oxy]-5-hydroxy-4-methoxyoxan-3-yl}oxidanesulfonic acidFormula:
C34H58O13SSmiles:
C=C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)COC1OCC(OS(=O)(=O)O)C(OC)C1OAglycone:
C=C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO.O=S(=O)(O)OSugarmoiety:
COC1C(O)COC(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 5 |
HBD: | 7 | FractionCSP3: | 0.94 |
AlogP: | 1.58 | Num_rotatable_bonds: | 11 |
MolWt: | 706.89 | Num_heavy_atoms: | 48 |
TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)OHBA: | 4 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
MolWt: | 98.08 | Num_heavy_atoms: | 5 |
TPSA: | 74.6 | NumAromaticRings: | 0 |
AD11844
Formula: C28H48O6
Smiles:
C=C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)COHBA: | 6 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.93 |
AlogP: | 2.63 | Num_rotatable_bonds: | 6 |
MolWt: | 480.69 | Num_heavy_atoms: | 34 |
TPSA: | 121.38 | NumAromaticRings: | 0 |