Glycoside
GD147749
Name:
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-methylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,5a-tetrolFormula:
C38H66O14Smiles:
COC1C(OC2CCC3(C)C4CCC5(C)C(C(C)CCC(OC6OC(CO)C(O)C6O)C(C)C)CC(O)C5C4(O)CC(O)C3(O)C2)OCC(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C2(O)CC(O)C2(O)CC(O)CCC12CSugarmoiety:
COC1C(O)OCC(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 746.93 | Num_heavy_atoms: | 52 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD48017
Formula: C27H48O6
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C2(O)CC(O)C2(O)CC(O)CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.68 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
