Glycoside
...
GD016017

Name:
None

Formula:
C55H90O15N4

Smiles:
CCOC(=O)CCN(CCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C)C(=O)Nc1ccc2ccccc2c1

Aglycone:
CCOC(=O)CCN(CCN1CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C)C(=O)Nc1ccc2ccccc2c1

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 6 FractionCSP3: 0.76
AlogP: 4.91 Num_rotatable_bonds: 15
MolWt: 1047.34 Num_heavy_atoms: 74
TPSA: 238.72 NumAromaticRings: 2

Unique Aglycone
AD11579
Formula: C47H76O12N4

Smiles:
CCOC(=O)CCN(CCN1CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C)C(=O)Nc1ccc2ccccc2c1
HBA: 16 RingCount: 4
HBD: 6 FractionCSP3: 0.72
AlogP: 3.99 Num_rotatable_bonds: 12
MolWt: 889.14 Num_heavy_atoms: 63
TPSA: 211.03 NumAromaticRings: 2

Sugarmoiety
SD00005

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