Glycoside
GD146212
Name:
{1-[7-({3-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-5,6-dimethylhept-3-en-2-yl]-3,3b,6,7-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxidanesulfonic acidFormula:
C39H66O17SSmiles:
COC1C(OC2C(OCC(C)C(C)C=CC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(OS(=O)(=O)O)CC34O)OCC(O)C2O)OCC(O)C1OAglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O)C(C)COSugarmoiety:
COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 839.01 | Num_heavy_atoms: | 57 |
| TPSA: | 271.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD50186
Formula: C28H48O9S
Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O)C(C)CO| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.75 | Num_heavy_atoms: | 38 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
