Glycoside
GD016655
Name:
NoneFormula:
C49H45O11N9SSmiles:
O=C1C=CC2C(=C1)Oc1cc(O)ccc1C2c1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)cc3)cc2)cc1C(=O)OAglycone:
O=C1C=CC2C(=C1)Oc1cc(O)ccc1C2c1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4N=C[N]5)cc3)cc2)cc1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.22 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 15 |
| MolWt: | 968.02 | Num_heavy_atoms: | 70 |
| TPSA: | 291.64 | NumAromaticRings: | 6 |
Unique Aglycone
AD11962
Formula: C44H36O7N9S
Smiles:
O=C1C=CC2C(=C1)Oc1cc(O)ccc1C2c1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4N=C[N]5)cc3)cc2)cc1C(=O)O| HBA: | 16 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.14 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 13 |
| MolWt: | 834.89 | Num_heavy_atoms: | 61 |
| TPSA: | 230.36 | NumAromaticRings: | 5 |
