Glycoside
GD019860
Name:
NoneFormula:
C37H63O15N11Smiles:
CC(C)C[C@H](NC[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]1CCNC(=N)N1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CC(C)CC(NCC(NC(=O)NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.76 |
| AlogP: | -5.84 | Num_rotatable_bonds: | 23 |
| MolWt: | 901.97 | Num_heavy_atoms: | 63 |
| TPSA: | 406.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD13799
Formula: C24H46O7N8
Smiles:
CC(C)CC(NCC(NC(=O)NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O| HBA: | 15 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.79 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 18 |
| MolWt: | 558.68 | Num_heavy_atoms: | 39 |
| TPSA: | 237.03 | NumAromaticRings: | 0 |
