Glycoside
GD020655
Name:
NoneFormula:
C44H46O12N4Smiles:
O=C(NCCNC(=O)[C@@H]1O[C@H](OCCc2c3ccccc3nc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1O[C@H](OCCc2c3ccccc3nc3ccccc23)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=CNCCNC=O.OCCc1c2ccccc2nc2ccccc12.OCCc1c2ccccc2nc2ccccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 13 |
| MolWt: | 822.87 | Num_heavy_atoms: | 60 |
| TPSA: | 242.28 | NumAromaticRings: | 6 |
Unique Aglycone
AD14230
Formula: C4H8O2N2
Smiles:
O=CNCCNC=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 58.2 | NumAromaticRings: | 0 |
AD14231
Formula: C15H13ON
Smiles:
OCCc1c2ccccc2nc2ccccc12| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.27 | Num_heavy_atoms: | 17 |
| TPSA: | 33.12 | NumAromaticRings: | 3 |
