Glycoside
GD145701
Name:
Respinomycin A1Formula:
C51H72O20N2Smiles:
COC1C(OC2OC(C)C(O)C(C)(O)C2OC)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)(N)C(OC5OC(C)C(O)C(C)(O)C5OC)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)OAglycone:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)(N)C(O)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)OSugarmoiety:
COC1C(O)OC(C)C(O)C1(C)O.COC1C(O)OC(C)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 1033.13 | Num_heavy_atoms: | 73 |
| TPSA: | 306.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD58465
Formula: C35H44O12N2
Smiles:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)(N)C(O)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)O| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 684.74 | Num_heavy_atoms: | 49 |
| TPSA: | 210.7 | NumAromaticRings: | 2 |
