Glycoside
GD114534
Name:
2,6-dihydroxy-7-[(5-{[(5-{[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methoxy]methyl}-4-methoxy-6-methyloxan-2-yl)methyl]peroxy}-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:
C44H68O15Smiles:
COC1CC(COCC2C(C)OC(COOC3C(C)OC(OC4CC5=CCC6C(=O)C(O)(c7ccoc7C)CCC6C5(C)CC4O)CC3OC)CC2OC)OC(C)C1OAglycone:
COC1CC(COCC2C(C)OC(COO)CC2OC)OC(C)C1O.Cc1occc1C1(O)CCC2C(CC=C3CC(O)C(O)CC32C)C1=OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 14 |
| MolWt: | 837.01 | Num_heavy_atoms: | 59 |
| TPSA: | 183.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD45119
Formula: C17H32O8
Smiles:
COC1CC(COCC2C(C)OC(COO)CC2OC)OC(C)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 364.44 | Num_heavy_atoms: | 25 |
| TPSA: | 95.84 | NumAromaticRings: | 0 |
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 |
