Glycoside
GD137077
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-2,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O16Smiles:
CC1OC(OC2C(Oc3cc(O)c4c(c3)OC(O)(c3ccc(O)c(O)c3)CC4=O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1CC(O)(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 265.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD49286
Formula: C15H12O7
Smiles:
O=C1CC(O)(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
