Glycoside
GD149394
Name:
11-({5-[(4,5-dihydroxy-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:
C31H34O12Smiles:
Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2c(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)ccc(O)c2C1=OAglycone:
Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2c(O)ccc(O)c2C1=OSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 598.6 | Num_heavy_atoms: | 43 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
