Glycoside
GD127787
Name:
5-hydroxy-8,8-dimethyl-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H,8H-pyrano[3,2-g]chromen-4-oneFormula:
C26H26O10Smiles:
CC1(C)C=Cc2c(cc3occ(-c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4)c(=O)c3c2O)O1Aglycone:
CC1(C)C=Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 498.48 | Num_heavy_atoms: | 36 |
| TPSA: | 159.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD51757
Formula: C20H16O5
Smiles:
CC1(C)C=Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.34 | Num_heavy_atoms: | 25 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
