Glycoside

GD138924
Name:
NoneFormula:
C38H64O17SSmiles:
C=C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)COC1OCC(O)C(OS(=O)(=O)O)C1OC1OCC(O)C(O)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:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 6 |
HBD: | 10 | FractionCSP3: | 0.95 |
AlogP: | -0.61 | Num_rotatable_bonds: | 12 |
MolWt: | 824.98 | Num_heavy_atoms: | 56 |
TPSA: | 282.59 | 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 |