Glycoside
...
GD030818

Name:
None

Formula:
C62H93O18N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O[C@@H]3O[C@@H]4COC(c5ccccc5)O[C@H]4[C@H](O)[C@H]3O)[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)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2N(CCCCn3cnc4cccnc43)C(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc4cccnc43)C(=O)OC12C.OC1OC2COC(c3ccccc3)OC2C(O)C1O

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

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 3 FractionCSP3: 0.76
AlogP: 5.72 Num_rotatable_bonds: 16
MolWt: 1196.44 Num_heavy_atoms: 85
TPSA: 259.85 NumAromaticRings: 3

Unique Aglycone
AD10771
Formula: C41H65O10N5

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc4cccnc43)C(=O)OC12C
HBA: 15 RingCount: 5
HBD: 2 FractionCSP3: 0.78
AlogP: 4.21 Num_rotatable_bonds: 10
MolWt: 788.0 Num_heavy_atoms: 56
TPSA: 175.01 NumAromaticRings: 2
AD11551
Formula: C13H16O6

Smiles:
OC1OC2COC(c3ccccc3)OC2C(O)C1O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.54
AlogP: -0.46 Num_rotatable_bonds: 1
MolWt: 268.27 Num_heavy_atoms: 19
TPSA: 88.38 NumAromaticRings: 1

Sugarmoiety
SD00005

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