Glycoside
GD034645
Name:
NoneFormula:
C29H47O12N7Smiles:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H](C(=O)O)C(C)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)OAglycone:
CC(C)CC(NC(=O)C(C)NC(=O)NC(C(=O)O)C(C)C)C(=O)NCCCNC(C)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.69 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 18 |
| MolWt: | 685.73 | Num_heavy_atoms: | 48 |
| TPSA: | 290.51 | 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 |
AD21997
Formula: C21H39O7N5
Smiles:
CC(C)CC(NC(=O)C(C)NC(=O)NC(C(=O)O)C(C)C)C(=O)NCCCNC(C)C(=O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 15 |
| MolWt: | 473.57 | Num_heavy_atoms: | 33 |
| TPSA: | 185.96 | NumAromaticRings: | 0 |
