Glycoside
GD018167
Name:
NoneFormula:
C38H66O10N8Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)OC(C)(C)C)nc2=O)[C@H](O)[C@H]1OAglycone:
CC(C)(C)OC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)Nc1cc[nH]c(=O)n1.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 26 |
| MolWt: | 794.99 | Num_heavy_atoms: | 56 |
| TPSA: | 269.31 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
