Glycoside
GD154557
Name:
11-({5-[(4-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-1,6,8-trihydroxy-3-methyl-5,6,7,12-tetrahydrotetraphene-7,12-dioneFormula:
C49H64O20Smiles:
Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2c(OC3CC(O)C(OC4CC(OC5CCC(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)C(O)C(C)O4)C(C)O3)ccc(O)c2C1=OAglycone:
CC1OC(O)CCC1O.Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2c(O)ccc(O)c2C1=OSugarmoiety:
CC1OC(OC2CC(OC3C(O)CC(O)OC3C)OC(C)C2O)CCC1OC1CC(O)C(O)C(C)O1.OOOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 973.03 | Num_heavy_atoms: | 69 |
| TPSA: | 288.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD04147
Formula: C19H14O6
Smiles:
Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2c(O)ccc(O)c2C1=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 0 |
| MolWt: | 338.32 | Num_heavy_atoms: | 25 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
