Glycoside
GD137644
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]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,7-tetrolFormula:
C39H66O13Smiles:
COC1C(OC2C(OCC(C)C(C)C=CC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(O)CC5C(O)CC34O)OCC(O)C2O)OCC(O)C1OAglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)C(C)COSugarmoiety:
COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 742.94 | Num_heavy_atoms: | 52 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD55596
Formula: C28H48O5
Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)C(C)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.69 | Num_heavy_atoms: | 33 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
