Glycoside
GD014126
Name:
NoneFormula:
C35H58O13N14Smiles:
Cc1cn(CC(=O)N(CCNC(=O)CN(CCN)C(=O)Cn2ccc(=O)[nH]c2=O)CC(=O)NCCN[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)c(=O)[nH]c1=OAglycone:
Cc1cn(CC(=O)N(CCNC(=O)CN(CCN)C(=O)Cn2ccc(=O)[nH]c2=O)CC(=O)NCCNC2C(O)C(N)CC(N)C2O)c(=O)[nH]c1=OSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 4 |
| HBD: | 18 | FractionCSP3: | 0.66 |
| AlogP: | -10.26 | Num_rotatable_bonds: | 20 |
| MolWt: | 882.93 | Num_heavy_atoms: | 62 |
| TPSA: | 429.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD10439
Formula: C29H46O10N12
Smiles:
Cc1cn(CC(=O)N(CCNC(=O)CN(CCN)C(=O)Cn2ccc(=O)[nH]c2=O)CC(=O)NCCNC2C(O)C(N)CC(N)C2O)c(=O)[nH]c1=O| HBA: | 22 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.59 |
| AlogP: | -8.02 | Num_rotatable_bonds: | 17 |
| MolWt: | 722.76 | Num_heavy_atoms: | 51 |
| TPSA: | 339.09 | NumAromaticRings: | 2 |
