Glycoside
GD122529
Name:
1-[1,3a-dihydroxy-7-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-9a-methyl-11-[(3-methylbutanoyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl 3-methylbutanoateFormula:
C44H74O13Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(CCC5C4CC(OC(=O)CC(C)C)C4C(O)(C(C)OC(=O)CC(C)C)CCC54O)C3)CC2OC)OC(C)C1OAglycone:
CC(C)CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(=O)CC(C)C)C12Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 13 |
| MolWt: | 811.06 | Num_heavy_atoms: | 57 |
| TPSA: | 168.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD49383
Formula: C30H50O7
Smiles:
CC(C)CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(=O)CC(C)C)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.72 | Num_heavy_atoms: | 37 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
