Glycoside
GD124684
Name:
Caucasicoside BFormula:
C45H70O19Smiles:
C=C(CCC1=C(C)C2C(CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CC(O)C5(C)C4C(O)CC32C)O1)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1=C(C)C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC32C)O1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.87 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 915.04 | Num_heavy_atoms: | 64 |
| TPSA: | 307.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD49438
Formula: C27H40O5
Smiles:
C=C(CO)CCC1=C(C)C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC32C)O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
