Glycoside
GD006734
Name:
NoneFormula:
C29H40O10N8Smiles:
CC(C)(C)OC(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CC(C)(C)OC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)Nc1cc[nH]c(=O)n1.COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 13 |
| MolWt: | 660.69 | Num_heavy_atoms: | 47 |
| TPSA: | 269.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD01983
Formula: C17H28O5N8
Smiles:
CC(C)(C)OC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)Nc1cc[nH]c(=O)n1| HBA: | 13 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 424.46 | Num_heavy_atoms: | 30 |
| TPSA: | 204.18 | NumAromaticRings: | 1 |
