Glycoside
GD114886
Name:
NoneFormula:
C61H91O20NSmiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(C)C(OC7CC(O)C(OC)C(C)O7)C(O)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(CO)=CC4C=C2C)OC3=O)CC1(C)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)C(CO)=CC4C=C2C)OC3=O)CC1(C)OSugarmoiety:
COC1C(O)CC(OC2C(C)CC(OC3CC(O)OC(C)C3O)OC2O)OC1COther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 1158.39 | Num_heavy_atoms: | 82 |
| TPSA: | 289.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD45341
Formula: C42H59O11N
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)C(CO)=CC4C=C2C)OC3=O)CC1(C)O| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 753.93 | Num_heavy_atoms: | 54 |
| TPSA: | 184.57 | NumAromaticRings: | 0 |
