Glycoside
...
GD033945

Name:
None

Formula:
C53H88O13N4

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]2O)[C@@](C)(O)C[C@H](C)CN(CCCNC(=O)NC(C)c2cccc3ccccc23)[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)C2O)C(C)(O)CC(C)CN(CCCNC(=O)NC(C)c2cccc3ccccc23)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 7 FractionCSP3: 0.77
AlogP: 4.87 Num_rotatable_bonds: 13
MolWt: 989.3 Num_heavy_atoms: 70
TPSA: 221.21 NumAromaticRings: 2

Unique Aglycone
AD21631
Formula: C45H74O10N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)NC(C)c2cccc3ccccc23)C(C)C(O)C1(C)O
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.73
AlogP: 3.95 Num_rotatable_bonds: 10
MolWt: 831.11 Num_heavy_atoms: 59
TPSA: 193.52 NumAromaticRings: 2

Sugarmoiety
SD00005

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