Glycoside
GD139555
Name:
1-[5-({4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy]-5-(hydroxymethyl)oxolan-2-yl}oxy)-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,7-triolFormula:
C39H68O12Smiles:
COC1COC(OC2C(OC(CCC(C)C3CC(O)C4C5CC(O)C6CC(O)CCC6(C)C5CCC34C)C(C)C)OC(CO)C2O)C(OC)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1COC(OC2C(O)OC(CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 728.96 | Num_heavy_atoms: | 51 |
| TPSA: | 176.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD13821
Formula: C27H48O4
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.68 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
