Glycoside
GD027833
Name:
Edgeworside AFormula:
C33H24O13Smiles:
CC1OC(Oc2ccc3ccc(=O)oc3c2-c2c(O)ccc3cc(Oc4ccc5ccc(=O)oc5c4)c(=O)oc23)C(O)C(O)C1OAglycone:
O=c1ccc2ccc(Oc3cc4ccc(O)c(-c5c(O)ccc6ccc(=O)oc56)c4oc3=O)cc2o1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 628.54 | Num_heavy_atoms: | 46 |
| TPSA: | 199.24 | NumAromaticRings: | 6 |
Unique Aglycone
AD10011
Formula: C27H14O9
Smiles:
O=c1ccc2ccc(Oc3cc4ccc(O)c(-c5c(O)ccc6ccc(=O)oc56)c4oc3=O)cc2o1| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 482.4 | Num_heavy_atoms: | 36 |
| TPSA: | 140.32 | NumAromaticRings: | 6 |
