Glycoside
GD035347
Name:
NoneFormula:
C29H48O12N8Smiles:
CC(C)[C@H](NC(=O)N[C@H](CCCCN)C(=O)N[C@H](C)C(=O)NCCCN[C@H](C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)C(=O)O)C(=O)OAglycone:
CC(NCCCNC(=O)C(C)NC(=O)C(CCCCN)NC(=O)NC(C(=O)O)C(C)C)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.69 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 20 |
| MolWt: | 700.75 | Num_heavy_atoms: | 49 |
| TPSA: | 316.53 | 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 |
AD22374
Formula: C21H40O7N6
Smiles:
CC(NCCCNC(=O)C(C)NC(=O)C(CCCCN)NC(=O)NC(C(=O)O)C(C)C)C(=O)O| HBA: | 13 | RingCount: | 0 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 17 |
| MolWt: | 488.59 | Num_heavy_atoms: | 34 |
| TPSA: | 211.98 | NumAromaticRings: | 0 |
