Glycoside
GD007388
Name:
NoneFormula:
C47H77O12N8FSmiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](OCCCCCCCCCCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)[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)C2OCCCCCCCCCCCCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)C(N)CC1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.79 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 23 |
| MolWt: | 965.17 | Num_heavy_atoms: | 68 |
| TPSA: | 322.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD06023
Formula: C41H66O8N7F
Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2OCCCCCCCCCCCCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)C(N)CC1O| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.76 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 20 |
| MolWt: | 804.02 | Num_heavy_atoms: | 57 |
| TPSA: | 238.01 | NumAromaticRings: | 2 |
