Glycoside
GD152905
Name:
6-hydroxy-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}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-oneFormula:
C42H64O13Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CC5=CCC6C(=O)C(C)(c7ccoc7C)CCC6C5(C)CC4O)CC3OC)CC2OC)OC(C)C1OAglycone:
Cc1occc1C1(C)CCC2C(CC=C3CC(O)C(O)CC32C)C1=OSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 776.96 | Num_heavy_atoms: | 55 |
| TPSA: | 153.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD45674
Formula: C21H28O4
Smiles:
Cc1occc1C1(C)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 344.45 | Num_heavy_atoms: | 25 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
