Glycoside
GD026060
Name:
NoneFormula:
C48H56O12N6Smiles:
C=CCCCO[C@H]1O[C@@H](C(=O)N(Cc2ccc(CN(Cc3cnc4ccccc4n3)C(=O)[C@H]3O[C@@H](OCCCC=C)[C@H](O)[C@@H](O)[C@H]3O)cc2)Cc2cnc3ccccc3n2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
C=CCCCO.C=CCCCO.O=CN(Cc1ccc(CN(C=O)Cc2cnc3ccccc3n2)cc1)Cc1cnc2ccccc2n1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 20 |
| MolWt: | 909.01 | Num_heavy_atoms: | 66 |
| TPSA: | 250.48 | NumAromaticRings: | 5 |
Unique Aglycone
AD01770
Formula: C5H10O
Smiles:
C=CCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD12249
Formula: C28H24O2N6
Smiles:
O=CN(Cc1ccc(CN(C=O)Cc2cnc3ccccc3n2)cc1)Cc1cnc2ccccc2n1| HBA: | 8 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 476.54 | Num_heavy_atoms: | 36 |
| TPSA: | 92.18 | NumAromaticRings: | 5 |
