Glycoside
...
GD010860

Name:
None

Formula:
C68H101O17N5Cl2

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)CCC[C@H](C)C(=O)[C@H](C)[C@@H]2N(CCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)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)CCCC(C)C(=O)C(C)C2N(CCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)OC12C

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

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 2 FractionCSP3: 0.77
AlogP: 9.64 Num_rotatable_bonds: 18
MolWt: 1307.46 Num_heavy_atoms: 90
TPSA: 236.12 NumAromaticRings: 2

Unique Aglycone
AD08336
Formula: C60H87O14N5Cl2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(=O)N3CCOCC3)C2O)C(C)(OC)CCCC(C)C(=O)C(C)C2N(CCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)OC12C
HBA: 19 RingCount: 7
HBD: 2 FractionCSP3: 0.74
AlogP: 8.71 Num_rotatable_bonds: 15
MolWt: 1149.26 Num_heavy_atoms: 79
TPSA: 208.43 NumAromaticRings: 2

Sugarmoiety
SD00005

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