Glycoside
GD121948
Name:
lobophorin iFormula:
C48H70O15N2Smiles:
CC(=O)ONC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(O)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)N(O)OAglycone:
CC(=O)ONC1C(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)N(O)OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 915.09 | Num_heavy_atoms: | 65 |
| TPSA: | 243.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD49115
Formula: C42H60O12N2
Smiles:
CC(=O)ONC1C(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)N(O)O| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 784.94 | Num_heavy_atoms: | 56 |
| TPSA: | 204.55 | NumAromaticRings: | 0 |
