Glycoside
GD110681
Name:
NoneFormula:
C34H37O9N3Smiles:
COc1ccc(C(OC[C@H]2O[C@@H](n3ncc(=O)[nH]c3=O)[C@H](O[C@H]3CCCCO3)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.O=c1cn[nH]c(=O)[nH]1.OC1CCCCO1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 631.68 | Num_heavy_atoms: | 46 |
| TPSA: | 143.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD07645
Formula: C3H3O2N3
Smiles:
O=c1cn[nH]c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.08 | Num_heavy_atoms: | 8 |
| TPSA: | 78.61 | NumAromaticRings: | 1 |
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 |
AD12145
Formula: C5H10O2
Smiles:
OC1CCCCO1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
