Glycoside
GD151493
Name:
2-{[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H46O22Smiles:
OCC1OC(OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)c(O)c5)C4OC4OC(CO)C(O)C(O)C4O)c3OC2c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 16 | FractionCSP3: | 0.43 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 902.81 | Num_heavy_atoms: | 64 |
| TPSA: | 379.06 | NumAromaticRings: | 4 |
Unique Aglycone
AD45065
Formula: C30H26O12
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 12 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.2 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 578.53 | Num_heavy_atoms: | 42 |
| TPSA: | 220.76 | NumAromaticRings: | 4 |
