Glycoside
GD082394
Name:
NoneFormula:
C18H30O6N5Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1Cn2cnnc2C12CC[NH2+]CC2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -3.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.47 | Num_heavy_atoms: | 29 |
| TPSA: | 155.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD37025
Formula: C12H20O2N5
Smiles:
O=C(NCCO)C1Cn2cnnc2C12CC[NH2+]CC2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.32 | Num_heavy_atoms: | 19 |
| TPSA: | 96.65 | NumAromaticRings: | 1 |
