Glycoside
...
GD009647

Name:
None

Formula:
C48H84O13N5Cl

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]2OCCCNC(=O)c2c(C)nn(C)c2Cl)[C@@](C)(O)C[C@H](C)CN(C)[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)C2OCCCNC(=O)c2c(C)nn(C)c2Cl)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 5 FractionCSP3: 0.89
AlogP: 3.44 Num_rotatable_bonds: 13
MolWt: 962.66 Num_heavy_atoms: 66
TPSA: 216.0 NumAromaticRings: 1

Unique Aglycone
AD07546
Formula: C40H70O10N5Cl

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OCCCNC(=O)c2c(C)nn(C)c2Cl)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 15 RingCount: 3
HBD: 5 FractionCSP3: 0.87
AlogP: 2.52 Num_rotatable_bonds: 10
MolWt: 804.47 Num_heavy_atoms: 55
TPSA: 188.31 NumAromaticRings: 1

Sugarmoiety
SD00005

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