Glycoside
GD037502
Name:
NoneFormula:
C36H33O8N3Smiles:
COc1ccc(C(OC[C@@H]2O[C@H](n3cc4c(nc3=O)Nc3ccccc3O4)[C@H](O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.O=c1nc2c(c[nH]1)Oc1ccccc1N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 635.67 | Num_heavy_atoms: | 47 |
| TPSA: | 133.53 | NumAromaticRings: | 5 |
Unique Aglycone
AD07921
Formula: C22H22O3
Smiles:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.42 | Num_heavy_atoms: | 25 |
| TPSA: | 27.69 | NumAromaticRings: | 3 |
AD21516
Formula: C10H7O2N3
Smiles:
O=c1nc2c(c[nH]1)Oc1ccccc1N2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 201.19 | Num_heavy_atoms: | 15 |
| TPSA: | 67.01 | NumAromaticRings: | 2 |
