Glycoside
GD082382
Name:
NoneFormula:
C20H32O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cccc(CN3CC[NH2+]CC3)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cccc(CN2CC[NH2+]CC2)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.49 | Num_heavy_atoms: | 29 |
| TPSA: | 128.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD37020
Formula: C14H22O2N3
Smiles:
O=C(NCCO)c1cccc(CN2CC[NH2+]CC2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 264.35 | Num_heavy_atoms: | 19 |
| TPSA: | 69.18 | NumAromaticRings: | 1 |
