Glycoside
GD136879
Name:
4-[3a-hydroxy-7-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5a,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C44H70O16Smiles:
COC1CC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(C)C2)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1OAglycone:
CC12CCC3C(CCC4(C)C(C5=CC(=O)OC5)CCC34O)C1(C)CCC(O)C2Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 855.03 | Num_heavy_atoms: | 60 |
| TPSA: | 221.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD55321
Formula: C24H36O4
Smiles:
CC12CCC3C(CCC4(C)C(C5=CC(=O)OC5)CCC34O)C1(C)CCC(O)C2| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.55 | Num_heavy_atoms: | 28 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
