Glycoside
...
GD032464

Name:
None

Formula:
C61H87O18N5Cl2

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(=O)N3CCOCC3)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2N(CCCOc3cc(C(=O)Nc4c(Cl)cncc4Cl)ccc3OC)C(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(=O)N3CCOCC3)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCOc3cc(C(=O)Nc4c(Cl)cncc4Cl)ccc3OC)C(=O)OC12C

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

Other Identifiers

Properties
HBA: 23 RingCount: 7
HBD: 3 FractionCSP3: 0.73
AlogP: 7.16 Num_rotatable_bonds: 16
MolWt: 1225.27 Num_heavy_atoms: 84
TPSA: 261.98 NumAromaticRings: 2

Unique Aglycone
AD20824
Formula: C53H73O15N5Cl2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(=O)N3CCOCC3)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCOc3cc(C(=O)Nc4c(Cl)cncc4Cl)ccc3OC)C(=O)OC12C
HBA: 20 RingCount: 6
HBD: 3 FractionCSP3: 0.69
AlogP: 6.24 Num_rotatable_bonds: 13
MolWt: 1067.07 Num_heavy_atoms: 73
TPSA: 234.29 NumAromaticRings: 2

Sugarmoiety
SD00005

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