Glycoside
GD140914
Name:
1-{5-[2-({3-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-5-(1,2-dihydroxyethyl)-4-hydroxyoxolan-2-yl}oxy)ethyl]-6-methylheptan-2-yl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,7-pentolFormula:
C41H72O15Smiles:
COC1C(OC2C(OCCC(CCC(C)C3C(O)C(O)C4C3(C)CCC3C5(C)CCC(O)CC5C(O)CC34O)C(C)C)OC(C(O)CO)C2O)OCC(O)C1OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
COC1C(OC2C(O)OC(C(O)CO)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 14 |
| MolWt: | 805.01 | Num_heavy_atoms: | 56 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD00818
Formula: C29H52O6
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.73 | Num_heavy_atoms: | 35 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
