Glycoside
...
GD003991

Name:
None

Formula:
C51H78O14N4

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=CCc4ccnc5ccccc45)NC(=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)NC(C=CCc2ccnc3ccccc23)CCN(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: 4 FractionCSP3: 0.71
AlogP: 3.34 Num_rotatable_bonds: 15
MolWt: 971.2 Num_heavy_atoms: 69
TPSA: 224.98 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
AD03550
Formula: C33H47O7N3

Smiles:
CCC(=O)OC1CC(=O)NC(C=CCc2ccnc3ccccc23)CCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC
HBA: 10 RingCount: 3
HBD: 3 FractionCSP3: 0.58
AlogP: 2.83 Num_rotatable_bonds: 8
MolWt: 597.75 Num_heavy_atoms: 43
TPSA: 138.29 NumAromaticRings: 2

Sugarmoiety
SD00048

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