Glycoside
GD012980
Name:
NoneFormula:
C35H50O10Smiles:
CO[C@H]1C[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5C6=CC(=O)[C@@H]7[C@H](C)OC(=O)[C@@]67CC[C@H]54)C3)C[C@H]2OC)O[C@@H](C)[C@H]1OAglycone:
CC1OC(=O)C23CCC4C(CC=C5CC(O)CCC54C)C2=CC(=O)C13Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 630.78 | Num_heavy_atoms: | 45 |
| TPSA: | 118.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD09745
Formula: C21H26O4
Smiles:
CC1OC(=O)C23CCC4C(CC=C5CC(O)CCC54C)C2=CC(=O)C13| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 342.44 | Num_heavy_atoms: | 25 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
