Glycoside
GD002948
Name:
NoneFormula:
C49H79O12N6FSmiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](OCCCCCCCCCCCCN3CC[C@H](c4ccc(F)cc4)[C@H](COc4ccc5c(c4)OCO5)C3)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](N)C[C@H]1OAglycone:
NCC1OC(OC2C(N)CC(N)C(O)C2OCCCCCCCCCCCCN2CCC(c3ccc(F)cc3)C(COc3ccc4c(c3)OCO4)C2)C(N)CC1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.76 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 24 |
| MolWt: | 963.2 | Num_heavy_atoms: | 68 |
| TPSA: | 288.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD02746
Formula: C43H68O8N5F
Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2OCCCCCCCCCCCCN2CCC(c3ccc(F)cc3)C(COc3ccc4c(c3)OCO4)C2)C(N)CC1O| HBA: | 13 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.72 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 21 |
| MolWt: | 802.04 | Num_heavy_atoms: | 57 |
| TPSA: | 203.16 | NumAromaticRings: | 2 |
