Glycoside
GD114721
Name:
Sna 4604-1Formula:
C52H84O18Smiles:
CC1C=CC=CC(=O)OC(C(C)C(O)C(C)C2(O)CC(OC3CC(O)C(O)C(C)O3)C(C)C(C)O2)C(C)C=CC=CC(=O)OC1C(C)C(O)C(C)C1(O)CC(OC2CC(O)C(O)C(C)O2)C(C)C(C)O1Aglycone:
CC1C=CC=CC(=O)OC(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C)O2)C(C)C=CC=CC(=O)OC1C(C)C(O)C(C)C1(O)CC(O)C(C)C(C)O1Sugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 997.23 | Num_heavy_atoms: | 70 |
| TPSA: | 269.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD45233
Formula: C40H64O12
Smiles:
CC1C=CC=CC(=O)OC(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C)O2)C(C)C=CC=CC(=O)OC1C(C)C(O)C(C)C1(O)CC(O)C(C)C(C)O1| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 736.94 | Num_heavy_atoms: | 52 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
