Glycoside
GD126644
Name:
1-{5-[({4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy]-5-(hydroxymethyl)oxolan-2-yl}oxy)methyl]-6-methylhept-3-en-2-yl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,7-triolFormula:
C40H68O12Smiles:
COC1COC(OC2C(OCC(C=CC(C)C3CC(O)C4C5CC(O)C6CC(O)CCC6(C)C5CCC34C)C(C)C)OC(CO)C2O)C(OC)C1OAglycone:
CC(C)C(C=CC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)COSugarmoiety:
COC1COC(OC2C(O)OC(CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 740.97 | Num_heavy_atoms: | 52 |
| TPSA: | 176.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD51260
Formula: C28H48O4
Smiles:
CC(C)C(C=CC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.69 | Num_heavy_atoms: | 32 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
