Glycoside
GD148910
Name:
sip-a2bFormula:
C44H66O9N2Smiles:
CC1=CC=CC(C)=CC(C)CN=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(OC2OCC(OC3CC(C)(O)C(O)C(C)O3)C(O)C2N)C=CC=C1Aglycone:
CC1=CC=CC(C)=CC(C)CN=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=C1Sugarmoiety:
CC1OC(OC2COC(O)C(N)C2O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 767.02 | Num_heavy_atoms: | 55 |
| TPSA: | 176.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD54473
Formula: C32H45O3N
Smiles:
CC1=CC=CC(C)=CC(C)CN=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 7.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 491.72 | Num_heavy_atoms: | 36 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
