Glycoside
GD127954
Name:
2-(3,4-dihydroxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-8aH-chromene-5,7,8a-triolFormula:
C27H32O16Smiles:
CC1OC(OCC2OC(OC3=C(c4ccc(O)c(O)c4)OC4(O)C=C(O)C=C(O)C4=C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=CC2(O)OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 268.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD51832
Formula: C15H12O7
Smiles:
OC1=CC2(O)OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 1 |
