Glycoside
...
GD019398

Name:
None

Formula:
C52H79O15N3

Smiles:
CCOC(=O)[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](CC=O)C[C@@H](C)[C@@H](O)CN(C)CCC[C@@H](CC=Cc4ccnc5ccccc45)OC(=O)C[C@@H](OC(=O)CC)[C@H]3OC)[C@H](O)[C@H]2N(C)C)C[C@]1(C)O

Aglycone:
CCC(=O)OC1CC(=O)OC(CC=Cc2ccnc3ccccc23)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC.CCOC(=O)C1C(C)OC(O)CC1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 3 FractionCSP3: 0.71
AlogP: 4.47 Num_rotatable_bonds: 15
MolWt: 986.21 Num_heavy_atoms: 70
TPSA: 222.18 NumAromaticRings: 2

Unique Aglycone
AD00920
Formula: C10H18O5

Smiles:
CCOC(=O)C1C(C)OC(O)CC1(C)O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.9
AlogP: 0.04 Num_rotatable_bonds: 2
MolWt: 218.25 Num_heavy_atoms: 15
TPSA: 75.99 NumAromaticRings: 0
AD13545
Formula: C34H48O8N2

Smiles:
CCC(=O)OC1CC(=O)OC(CC=Cc2ccnc3ccccc23)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.59
AlogP: 3.96 Num_rotatable_bonds: 8
MolWt: 612.76 Num_heavy_atoms: 44
TPSA: 135.49 NumAromaticRings: 2

Sugarmoiety
SD00048

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