Glycoside
GD033619
Name:
NoneFormula:
C49H80O14Smiles:
CC[C@H](C=CC(O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1OC(=O)C=CC=C[C@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(OC)C[C@H](O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](CC)[C@H](C)O2)OC(=O)C=CC=C[C@H]1C)[C@H](C)OAglycone:
CCC(C=CC(O)C(C)C(O)C(C)C1OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C2(OC)CC(O)C(CC)C(C)O2)OC(=O)C=CC=CC1C)C(C)OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 893.17 | Num_heavy_atoms: | 63 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD21445
Formula: C43H70O11
Smiles:
CCC(C=CC(O)C(C)C(O)C(C)C1OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C2(OC)CC(O)C(CC)C(C)O2)OC(=O)C=CC=CC1C)C(C)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 5.45 | Num_rotatable_bonds: | 14 |
| MolWt: | 763.02 | Num_heavy_atoms: | 54 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
