Glycoside
GD156139
Name:
1-[1,3a,3b-trihydroxy-7-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-11-[(3-methylbutanoyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl 3-methylbutanoateFormula:
C45H76O14Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(CCC5(O)C4CC(OC(=O)CC(C)C)C4(C)C(O)(C(C)OC(=O)CC(C)C)CCC54O)C3)CC2OC)OC(C)C1OAglycone:
CC(C)CC(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)CC(C)C)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 841.09 | Num_heavy_atoms: | 59 |
| TPSA: | 188.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD61860
Formula: C31H52O8
Smiles:
CC(C)CC(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)CC(C)C)C12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.75 | Num_heavy_atoms: | 39 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
