Glycoside
...
GD013110

Name:
None

Formula:
C51H81O13N5

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)C(=O)[C@H](C)[C@@H]2N(CCCCn3cnc(-c4cccnc4)c3)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(CCCCn3cnc(-c4cccnc4)c3)C(=O)OC12C

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 2 FractionCSP3: 0.78
AlogP: 5.65 Num_rotatable_bonds: 14
MolWt: 972.23 Num_heavy_atoms: 69
TPSA: 202.7 NumAromaticRings: 2

Unique Aglycone
AD09827
Formula: C43H67O10N5

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(CCCCn3cnc(-c4cccnc4)c3)C(=O)OC12C
HBA: 15 RingCount: 5
HBD: 2 FractionCSP3: 0.74
AlogP: 4.72 Num_rotatable_bonds: 11
MolWt: 814.03 Num_heavy_atoms: 58
TPSA: 175.01 NumAromaticRings: 2

Sugarmoiety
SD00005

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