Glycoside
GD136377
Name:
5,7-dihydroxy-3-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)methyl]oxan-2-yl}oxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O16Smiles:
CC1OC(CC2OC(OC3C(=O)c4c(O)cc(O)cc4OC3c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1OSugarmoiety:
CC1OC(CC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.52 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 276.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD46522
Formula: C15H12O8
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.25 | Num_heavy_atoms: | 23 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
