Glycoside
GD134412
Name:
NoneFormula:
C42H46O21Smiles:
CC1OC(OCC2OC(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(=O)cc-4oc3-c3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1OC(=O)C=Cc1ccc(O)cc1Aglycone:
O=C(O)C=Cc1ccc(O)cc1.O=c1cc2oc(-c3ccc(O)cc3)c(O)cc-2c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.43 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 886.81 | Num_heavy_atoms: | 63 |
| TPSA: | 334.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD47390
Formula: C15H10O5
Smiles:
O=c1cc2oc(-c3ccc(O)cc3)c(O)cc-2c(O)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
