Glycoside
GD145639
Name:
KalbreclasineFormula:
C20H23O12NSmiles:
OCC1OC(OC2C=C3c4cc5c(c(O)c4C(O)=NC3C(O)C2O)OCO5)C(O)C(O)C1OAglycone:
OC1=NC2C(=CC(O)C(O)C2O)c2cc3c(c(O)c21)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 469.4 | Num_heavy_atoms: | 33 |
| TPSA: | 211.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD49421
Formula: C14H13O7N
Smiles:
OC1=NC2C(=CC(O)C(O)C2O)c2cc3c(c(O)c21)OCO3| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 307.26 | Num_heavy_atoms: | 22 |
| TPSA: | 131.97 | NumAromaticRings: | 1 |
