Glycoside
GD127020
Name:
1-{5-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy]-6-methylheptan-2-yl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6,7-pentolFormula:
C33H58O10Smiles:
COC1C(O)COC(OC(CCC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)C(O)C4C(O)CC23O)C(C)C)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
COC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 614.82 | Num_heavy_atoms: | 43 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD04482
Formula: C27H48O6
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.68 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
