Glycoside
GD031584
Name:
NoneFormula:
C63H90O24N8Smiles:
C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCN(C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)[C@H](CCC(=O)NCCN(C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)[C@H]3CAglycone:
C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCN(C)C)C(CCC(=O)NCCN(C)C)C3CSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 9 |
| HBD: | 20 | FractionCSP3: | 0.63 |
| AlogP: | -5.05 | Num_rotatable_bonds: | 22 |
| MolWt: | 1343.45 | Num_heavy_atoms: | 95 |
| TPSA: | 508.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD20337
Formula: C43H58O4N8
Smiles:
C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCN(C)C)C(CCC(=O)NCCN(C)C)C3C| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 6.27 | Num_rotatable_bonds: | 14 |
| MolWt: | 750.99 | Num_heavy_atoms: | 55 |
| TPSA: | 148.34 | NumAromaticRings: | 3 |
