Glycoside
GD141756
Name:
1-[11-(acetyloxy)-1,3a,3b-trihydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl benzoateFormula:
C51H78O17Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(CCC6(O)C5CC(OC(C)=O)C5(C)C(O)(C(C)OC(=O)c7ccccc7)CCC65O)C4)CC3OC)CC2OC)OC(C)C1OAglycone:
CC(=O)OC1CC2C3(C)CCC(O)CC3CCC2(O)C2(O)CCC(O)(C(C)OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 13 |
| MolWt: | 963.17 | Num_heavy_atoms: | 68 |
| TPSA: | 216.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD52729
Formula: C30H42O8
Smiles:
CC(=O)OC1CC2C3(C)CCC(O)CC3CCC2(O)C2(O)CCC(O)(C(C)OC(=O)c3ccccc3)C12C| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.66 | Num_heavy_atoms: | 38 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
