Glycoside
GD003866
Name:
NoneFormula:
C52H87O12N18FSmiles:
N=C(N)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](NC(=N)N)[C@H]3O)[C@@H](NC(=N)N)C[C@H]2NC(=N)N)[C@H](NC(=N)N)C[C@H]1OAglycone:
N=C(N)NCC1OC(OC2C(NC(=N)N)CC(NC(=N)N)C(O)C2OCCCCCCCCCCCCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)C(NC(=N)N)CC1OSugarmoiety:
N=C(N)NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 7 |
| HBD: | 25 | FractionCSP3: | 0.71 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 28 |
| MolWt: | 1175.38 | Num_heavy_atoms: | 83 |
| TPSA: | 502.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD03447
Formula: C45H74O8N15F
Smiles:
N=C(N)NCC1OC(OC2C(NC(=N)N)CC(NC(=N)N)C(O)C2OCCCCCCCCCCCCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)C(NC(=N)N)CC1O| HBA: | 23 | RingCount: | 6 |
| HBD: | 19 | FractionCSP3: | 0.69 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 24 |
| MolWt: | 972.18 | Num_heavy_atoms: | 69 |
| TPSA: | 381.53 | NumAromaticRings: | 2 |
