Glycoside
GD004040
Name:
SCHAUNARDIMYCINFormula:
C35H43O14NSmiles:
CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](NC)[C@H](O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OCAglycone:
CCC1(O)CC(OC2CC(NC)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OCSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 701.72 | Num_heavy_atoms: | 50 |
| TPSA: | 230.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD02909
Formula: C29H33O11N
Smiles:
CCC1(O)CC(OC2CC(NC)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 571.58 | Num_heavy_atoms: | 41 |
| TPSA: | 192.08 | NumAromaticRings: | 2 |
