Glycoside
...
GD015271

Name:
None

Formula:
C63H113O20N7S

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]2OC(=O)CCC(=O)NCCCCCC(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@](C)(O)C[C@H](C)C(NOCOCCOC)[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)C2OC(=O)CCC(=O)NCCCCCC(=O)NCCNC(=O)CCCCC2SCC3NC(=O)NC32)C(C)(O)CC(C)C(NOCOCCOC)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 27 RingCount: 5
HBD: 10 FractionCSP3: 0.9
AlogP: 2.69 Num_rotatable_bonds: 32
MolWt: 1320.69 Num_heavy_atoms: 91
TPSA: 351.06 NumAromaticRings: 0

Unique Aglycone
AD11120
Formula: C55H99O17N7S

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCC(=O)NCCCCCC(=O)NCCNC(=O)CCCCC2SCC3NC(=O)NC32)C(C)(O)CC(C)C(NOCOCCOC)C(C)C(O)C1(C)O
HBA: 24 RingCount: 4
HBD: 10 FractionCSP3: 0.89
AlogP: 1.77 Num_rotatable_bonds: 29
MolWt: 1162.5 Num_heavy_atoms: 80
TPSA: 323.37 NumAromaticRings: 0

Sugarmoiety
SD00005

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