Glycoside
GD015600
Name:
NoneFormula:
C33H71O14N11Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2OC[C@H](O)NCCNCCNC[C@H](O)CO[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(OCC(O)CNCCNCCNC(O)COC2C(O)C(N)CC(N)C2O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 27 | FractionCSP3: | 1.0 |
| AlogP: | -11.72 | Num_rotatable_bonds: | 21 |
| MolWt: | 845.99 | Num_heavy_atoms: | 58 |
| TPSA: | 461.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD11321
Formula: C21H47O8N7
Smiles:
NC1CC(N)C(O)C(OCC(O)CNCCNCCNC(O)COC2C(O)C(N)CC(N)C2O)C1O| HBA: | 15 | RingCount: | 2 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -7.23 | Num_rotatable_bonds: | 15 |
| MolWt: | 525.65 | Num_heavy_atoms: | 36 |
| TPSA: | 280.01 | NumAromaticRings: | 0 |
