Glycoside
GD004364
Name:
NoneFormula:
C33H53O17N10PSmiles:
Cc1cn([C@@H]2C[C@H](OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)C[C@H]3O)[C@H](C(=O)NCCN[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)O2)c(=O)[nH]c1=OAglycone:
Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)CC3O)C(C(=O)NCCNC3C(O)C(N)CC(N)C3O)O2)c(=O)[nH]c1=OSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 17 | FractionCSP3: | 0.73 |
| AlogP: | -7.56 | Num_rotatable_bonds: | 15 |
| MolWt: | 892.81 | Num_heavy_atoms: | 61 |
| TPSA: | 428.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD03821
Formula: C27H41O14N8P
Smiles:
Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)CC3O)C(C(=O)NCCNC3C(O)C(N)CC(N)C3O)O2)c(=O)[nH]c1=O| HBA: | 22 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | -5.31 | Num_rotatable_bonds: | 12 |
| MolWt: | 732.64 | Num_heavy_atoms: | 50 |
| TPSA: | 337.8 | NumAromaticRings: | 2 |
