Glycoside
GD088802
Name:
NoneFormula:
C21H31O6N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc3ccc(N4CC[NH2+]CC4)n3c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc2ccc(N3CC[NH2+]CC3)n2c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.5 | Num_heavy_atoms: | 31 |
| TPSA: | 132.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD38853
Formula: C15H21O2N4
Smiles:
O=C(NCCO)c1ccc2ccc(N3CC[NH2+]CC3)n2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 289.36 | Num_heavy_atoms: | 21 |
| TPSA: | 73.59 | NumAromaticRings: | 2 |
