Glycoside
...
GD003375

Name:
None

Formula:
C50H75O13N3

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)(OCC=Cc2cnc3ccccc3c2)C[C@H](C)C(=O)[C@H](C)[C@@H]2NC(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=Cc2cnc3ccccc3c2)CC(C)C(=O)C(C)C2NC(=O)OC12C

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 3 FractionCSP3: 0.72
AlogP: 5.83 Num_rotatable_bonds: 11
MolWt: 926.16 Num_heavy_atoms: 66
TPSA: 193.67 NumAromaticRings: 2

Unique Aglycone
AD03068
Formula: C42H61O10N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=Cc2cnc3ccccc3c2)CC(C)C(=O)C(C)C2NC(=O)OC12C
HBA: 13 RingCount: 5
HBD: 3 FractionCSP3: 0.67
AlogP: 4.9 Num_rotatable_bonds: 8
MolWt: 767.96 Num_heavy_atoms: 55
TPSA: 165.98 NumAromaticRings: 2

Sugarmoiety
SD00005

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