Glycoside
...
GD035216

Name:
None

Formula:
C46H79O15N3S

Smiles:
CC(C)(O)C(CC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@]12C)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O

Aglycone:
CC(C)(O)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 13 FractionCSP3: 0.91
AlogP: 1.11 Num_rotatable_bonds: 19
MolWt: 946.21 Num_heavy_atoms: 65
TPSA: 318.89 NumAromaticRings: 0

Unique Aglycone
AD22297
Formula: C40H69O10N3S

Smiles:
CC(C)(O)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O
HBA: 13 RingCount: 4
HBD: 10 FractionCSP3: 0.9
AlogP: 3.28 Num_rotatable_bonds: 16
MolWt: 784.07 Num_heavy_atoms: 54
TPSA: 239.74 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O