Glycoside
GD009311
Name:
NoneFormula:
C35H57O17N10PSmiles:
Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3C(=O)NCCCN[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(O)C(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3C(=O)NCCCNC3C(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: | 0.74 |
| AlogP: | -6.86 | Num_rotatable_bonds: | 16 |
| MolWt: | 920.87 | Num_heavy_atoms: | 63 |
| TPSA: | 428.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD07308
Formula: C29H45O14N8P
Smiles:
Cc1cn(C2CC(O)C(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3C(=O)NCCCNC3C(O)C(N)CC(N)C3O)O2)c(=O)[nH]c1=O| HBA: | 22 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.69 |
| AlogP: | -4.61 | Num_rotatable_bonds: | 13 |
| MolWt: | 760.7 | Num_heavy_atoms: | 52 |
| TPSA: | 337.8 | NumAromaticRings: | 2 |
