Glycoside
GD116659
Name:
2,6-dihydroxy-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}-4b-methyl-2-(2-methylfuran-3-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-oneFormula:
C41H62O14Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CC5=CCC6C(=O)C(O)(c7ccoc7C)CCC6C5(C)CC4O)CC3OC)CC2OC)OC(C)C1OAglycone:
Cc1occc1C1(O)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: | 14 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 778.93 | Num_heavy_atoms: | 55 |
| TPSA: | 173.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD45120
Formula: C20H26O5
Smiles:
Cc1occc1C1(O)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
