Glycoside
GD131078
Name:
2-hydro-3-hydroxy-4,5-desepoxy-12-decarboxy-12-methyl pimaricinFormula:
C33H51O11NSmiles:
CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC=CC(O)CC(=O)O1)CC(O)C2CAglycone:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC=CC(O)CC(=O)O1)CC(O)C2CSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 637.77 | Num_heavy_atoms: | 45 |
| TPSA: | 201.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD53111
Formula: C27H40O8
Smiles:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC=CC(O)CC(=O)O1)CC(O)C2C| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 492.61 | Num_heavy_atoms: | 35 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
