Glycoside
...
GD026092

Name:
None

Formula:
C52H81O9N3

Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CCN2CC(C)CC(C)C2)C[C@H](C)C(=NOCCCCc2ccc3ccccc3c2)C=CC(C)=CC1CO

Aglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCCCc2ccc3ccccc3c2)C=CC(C)=CC1CO

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 4 FractionCSP3: 0.69
AlogP: 7.16 Num_rotatable_bonds: 14
MolWt: 892.23 Num_heavy_atoms: 64
TPSA: 153.75 NumAromaticRings: 2

Unique Aglycone
AD17226
Formula: C44H66O6N2

Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCCCc2ccc3ccccc3c2)C=CC(C)=CC1CO
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.64
AlogP: 7.74 Num_rotatable_bonds: 11
MolWt: 719.02 Num_heavy_atoms: 52
TPSA: 111.82 NumAromaticRings: 2

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O