Glycoside
GD136733
Name:
4-(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-ylidene)cyclohexa-2,5-dien-1-oneFormula:
C33H40O20Smiles:
O=C1C=CC(=C2Oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3C=C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C1Aglycone:
O=C1C=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -5.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.66 | Num_heavy_atoms: | 53 |
| TPSA: | 324.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD49486
Formula: C15H10O5
Smiles:
O=C1C=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
