Glycoside
GD149757
Name:
rimocidin bFormula:
C39H62O13N2Smiles:
CCCC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CCCC(=O)CC(O)C(CC)C(=O)O1)CC(O)C2C(=N)OAglycone:
CCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CCCC(=O)CC(O)C(CC)C(=O)O1)CC(O)C2C(=N)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.72 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 766.93 | Num_heavy_atoms: | 54 |
| TPSA: | 262.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD59867
Formula: C33H51O10N
Smiles:
CCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CCCC(=O)CC(O)C(CC)C(=O)O1)CC(O)C2C(=N)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 621.77 | Num_heavy_atoms: | 44 |
| TPSA: | 197.83 | NumAromaticRings: | 0 |
