Glycoside
GD005341
Name:
NatacynFormula:
C33H47O13NSmiles:
CC1CC=CC=CC=CC=CC(O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@H]2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)OAglycone:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 665.73 | Num_heavy_atoms: | 47 |
| TPSA: | 230.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD04554
Formula: C27H36O10
Smiles:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 520.58 | Num_heavy_atoms: | 37 |
| TPSA: | 166.28 | NumAromaticRings: | 0 |
