Glycoside

GD024732
Name:
NoneFormula:
C53H93O19N3Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)CCNC(=O)OC(C)(C)C)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](OC(=O)CCNC(=O)OC(C)(C)C)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCNC(=O)OC(C)(C)C)C(C)(O)CC(C)C(=O)C(C)C(OC(=O)CCNC(=O)OC(C)(C)C)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.89 |
AlogP: | 4.72 | Num_rotatable_bonds: | 15 |
MolWt: | 1076.33 | Num_heavy_atoms: | 75 |
TPSA: | 282.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD16483
Formula: C45H79O16N3
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCNC(=O)OC(C)(C)C)C(C)(O)CC(C)C(=O)C(C)C(OC(=O)CCNC(=O)OC(C)(C)C)C1(C)OHBA: | 19 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.87 |
AlogP: | 3.79 | Num_rotatable_bonds: | 12 |
MolWt: | 918.13 | Num_heavy_atoms: | 64 |
TPSA: | 255.02 | NumAromaticRings: | 0 |