Glycoside
GD142118
Name:
2-{4-[4-hydroxy-2-(hydroxymethyl)-3-({3-methoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)butyl]-2-methoxyphenoxy}-6-methyloxane-3,4,5-triolFormula:
C32H46O14Smiles:
COc1cc(CC(CO)C(CO)Cc2ccc(OC3OC(C)C(O)C(O)C3O)c(OC)c2)ccc1OC1OC(C)C(O)C(O)C1OAglycone:
COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 13 |
| MolWt: | 654.71 | Num_heavy_atoms: | 46 |
| TPSA: | 217.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD11289
Formula: C20H26O6
Smiles:
COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
