Glycoside
...
GD036028

Name:
None

Formula:
C52H91O14N5S2

Smiles:
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]2O)[C@@](C)(O)C[C@H](C)CN(CCCNC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 7 FractionCSP3: 0.85
AlogP: 3.82 Num_rotatable_bonds: 14
MolWt: 1074.45 Num_heavy_atoms: 73
TPSA: 241.52 NumAromaticRings: 1

Unique Aglycone
AD22761
Formula: C44H77O11N5S2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)C(O)C1(C)O
HBA: 16 RingCount: 4
HBD: 7 FractionCSP3: 0.82
AlogP: 2.9 Num_rotatable_bonds: 11
MolWt: 916.26 Num_heavy_atoms: 62
TPSA: 213.83 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O