Glycoside
GD002012
Name:
7-{[5-(acetyloxy)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a-formyl-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-10-yl acetateFormula:
C34H48O13Smiles:
COC1C(O)C(OC2CC[C@]3(C=O)C4C(OC(C)=O)C[C@]5(C)C(C6=CC(=O)OC6)CC[C@@]5(O)C4CC[C@@]3(O)C2)OC(C)C1OC(C)=OAglycone:
CC(=O)OC1CC2(C)C(C3=CC(=O)OC3)CCC2(O)C2CCC3(O)CC(O)CCC3(C=O)C12Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 664.75 | Num_heavy_atoms: | 47 |
| TPSA: | 184.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD01958
Formula: C25H34O8
Smiles:
CC(=O)OC1CC2(C)C(C3=CC(=O)OC3)CCC2(O)C2CCC3(O)CC(O)CCC3(C=O)C12| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.54 | Num_heavy_atoms: | 33 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
