Glycoside
GD030202
Name:
NoneFormula:
C43H71O15NSmiles:
CCOC(=O)C=CC[C@@H]1C[C@H](C)C(=O)C=CC(C)=C[C@H](COC2OC(C)C(O)C(OC)C2OC)[C@H](CC)OC(=O)C[C@H](O)[C@H](C)[C@H]1OC1OC(C)C(O)C(N(C)C)C1OAglycone:
CCOC(=O)C=CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 13 |
| MolWt: | 842.03 | Num_heavy_atoms: | 59 |
| TPSA: | 209.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD19555
Formula: C27H42O8
Smiles:
CCOC(=O)C=CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.63 | Num_heavy_atoms: | 35 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
