Glycoside
GD002183
Name:
NoneFormula:
C32H37O12NSSmiles:
COC(=O)C1OC(SC2C=C[C@@H]3[C@@H]4Cc5ccc(OC(C)=O)c6c5[C@@]3(CCN4C)[C@H]2O6)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)Oc1ccc2c3c1OC1C(S)C=CC4C(C2)N(C)CCC341Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 659.71 | Num_heavy_atoms: | 46 |
| TPSA: | 153.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD02114
Formula: C19H21O3NS
Smiles:
CC(=O)Oc1ccc2c3c1OC1C(S)C=CC4C(C2)N(C)CCC341| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 343.45 | Num_heavy_atoms: | 24 |
| TPSA: | 38.77 | NumAromaticRings: | 1 |
