Glycoside
GD156780
Name:
1-[5-(2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}ethyl)-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,7-pentolFormula:
C34H60O10Smiles:
CC(C)C(CCOC1OC(CO)C(O)C1O)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 10 |
| MolWt: | 628.84 | Num_heavy_atoms: | 44 |
| TPSA: | 180.3 | 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 |
