Glycoside
GD029388
Name:
NoneFormula:
C37H61O13N13Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)OAglycone:
N=C(N)NCCCC(NC(=O)C(CO)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCC(N)=O)C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 2 |
| HBD: | 21 | FractionCSP3: | 0.59 |
| AlogP: | -6.67 | Num_rotatable_bonds: | 27 |
| MolWt: | 895.97 | Num_heavy_atoms: | 63 |
| TPSA: | 454.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD19117
Formula: C29H48O8N12
Smiles:
N=C(N)NCCCC(NC(=O)C(CO)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCC(N)=O)C(=O)O| HBA: | 20 | RingCount: | 1 |
| HBD: | 18 | FractionCSP3: | 0.52 |
| AlogP: | -4.64 | Num_rotatable_bonds: | 23 |
| MolWt: | 692.78 | Num_heavy_atoms: | 49 |
| TPSA: | 366.84 | NumAromaticRings: | 1 |
