Glycoside
GD123436
Name:
platencin a15Formula:
C30H37O12NSmiles:
C=C1C2CCC3(C=CC(=O)C(C)(CCC(O)=Nc4c(OC5OC(CO)C(O)C(O)C5O)ccc(C(=O)O)c4O)C3C2)C1OAglycone:
C=C1C2CCC3(C=CC(=O)C(C)(CCC(O)=Nc4c(O)ccc(C(=O)O)c4O)C3C2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 603.62 | Num_heavy_atoms: | 43 |
| TPSA: | 226.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD49812
Formula: C24H27O7N
Smiles:
C=C1C2CCC3(C=CC(=O)C(C)(CCC(O)=Nc4c(O)ccc(C(=O)O)c4O)C3C2)C1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.48 | Num_heavy_atoms: | 32 |
| TPSA: | 147.65 | NumAromaticRings: | 1 |
