Glycoside
...
GD021273

Name:
None

Formula:
C49H77O12N3

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)(OC)C[C@H](C)CN2C(=Nc3cccc4ccccc34)O[C@H]([C@H]2C)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)CN2C(=Nc3cccc4ccccc34)OC(C2C)C1(C)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 3 FractionCSP3: 0.76
AlogP: 5.8 Num_rotatable_bonds: 9
MolWt: 900.16 Num_heavy_atoms: 64
TPSA: 170.44 NumAromaticRings: 2

Unique Aglycone
AD14572
Formula: C41H63O9N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)CN2C(=Nc3cccc4ccccc34)OC(C2C)C1(C)O
HBA: 12 RingCount: 5
HBD: 3 FractionCSP3: 0.71
AlogP: 4.88 Num_rotatable_bonds: 6
MolWt: 741.97 Num_heavy_atoms: 53
TPSA: 142.75 NumAromaticRings: 2

Sugarmoiety
SD00005

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