Glycoside
...
GD002214

Name:
None

Formula:
C52H82O15N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCNCC(=O)Nc3ccc4ccccc4c3)[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)(O)C[C@H](C)NC(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)NC(=O)C(C)C(O)C1(C)O.O=C(O)CCNCC(=O)Nc1ccc2ccccc2c1

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 7 FractionCSP3: 0.73
AlogP: 3.41 Num_rotatable_bonds: 14
MolWt: 1003.24 Num_heavy_atoms: 71
TPSA: 253.14 NumAromaticRings: 2

Unique Aglycone
AD00177
Formula: C29H54O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.93
AlogP: 0.16 Num_rotatable_bonds: 4
MolWt: 590.76 Num_heavy_atoms: 41
TPSA: 178.25 NumAromaticRings: 0
AD00389
Formula: C15H16O3N2

Smiles:
O=C(O)CCNCC(=O)Nc1ccc2ccccc2c1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.2
AlogP: 1.84 Num_rotatable_bonds: 6
MolWt: 272.3 Num_heavy_atoms: 20
TPSA: 78.43 NumAromaticRings: 2

Sugarmoiety
SD00005

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