Glycoside
GD133382
Name:
lobophorinFormula:
C60H94O21N2Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(OC7CC(O)C(OC)C(C)O7)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3C(=O)OC4(CCC(CO)CC4C=C2C)C3O)CC1(C)N(O)OAglycone:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3C(=O)OC4(CCC(CO)CC4C=C2C)C3O)CC1(C)N(O)OSugarmoiety:
COC1C(O)CC(OC2C(O)CC(OC3CC(O)OC(C)C3O)OC2C)OC1COther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 1179.4 | Num_heavy_atoms: | 83 |
| TPSA: | 313.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD53990
Formula: C41H62O12N2
Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3C(=O)OC4(CCC(CO)CC4C=C2C)C3O)CC1(C)N(O)O| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 774.95 | Num_heavy_atoms: | 55 |
| TPSA: | 208.04 | NumAromaticRings: | 0 |
