Glycoside
GD127872
Name:
Viranamycin BFormula:
C44H73O14NSmiles:
CCC1C(O)C(C)C=C(C)C=C(OC)C(=O)OC(C(C)C(O)C(C)C2(O)CC(OC3CC(O)C(OC(=N)O)C(C)O3)C(C)C(C)O2)C(OC)C=CC=C(C)CC(C)C1OAglycone:
CCC1C(O)C(C)C=C(C)C=C(OC)C(=O)OC(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C)O2)C(OC)C=CC=C(C)CC(C)C1OSugarmoiety:
CC1OC(O)CC(O)C1OC(=N)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 840.06 | Num_heavy_atoms: | 59 |
| TPSA: | 226.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51792
Formula: C37H62O10
Smiles:
CCC1C(O)C(C)C=C(C)C=C(OC)C(=O)OC(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C)O2)C(OC)C=CC=C(C)CC(C)C1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 666.89 | Num_heavy_atoms: | 47 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
