Glycoside
GD007598
Name:
NoneFormula:
C50H80O15N10Smiles:
CCCCCCCCCCCCCCC[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[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:
CCCCCCCCCCCCCCCC(NC(=O)C(NC(=O)OCc1ccccc1)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: | 25 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 0.7 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 33 |
| MolWt: | 1061.25 | Num_heavy_atoms: | 75 |
| TPSA: | 383.26 | NumAromaticRings: | 2 |
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 |
AD06168
Formula: C37H63O7N7
Smiles:
CCCCCCCCCCCCCCCC(NC(=O)C(NC(=O)OCc1ccccc1)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.7 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 28 |
| MolWt: | 717.95 | Num_heavy_atoms: | 51 |
| TPSA: | 214.0 | NumAromaticRings: | 1 |
