Glycoside
GD131590
Name:
NoneFormula:
C61H88O23N2Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)N(O)OAglycone:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)N(O)OSugarmoiety:
CC(=O)OC1C(C)OC(O)CC1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 1217.37 | Num_heavy_atoms: | 86 |
| TPSA: | 347.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD46536
Formula: C41H56O13N2
Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)N(O)O| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 784.9 | Num_heavy_atoms: | 56 |
| TPSA: | 225.11 | NumAromaticRings: | 0 |
