Glycoside
...
GD010692

Name:
None

Formula:
C56H78O19N4

Smiles:
CC(=O)OC[C@@H]1O[C@@H](n2cc(CN3C[C@H](C)C[C@@H]4O[C@]5(CC[C@@H]6C(=C5C)C[C@@H]5[C@H]6CC=C6C[C@H](O)CC[C@]65C)[C@H](C)[C@H]43)nn2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CN(CC3=C[N]N=N3)C1C2C.COC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 1 FractionCSP3: 0.77
AlogP: 4.3 Num_rotatable_bonds: 14
MolWt: 1111.25 Num_heavy_atoms: 79
TPSA: 275.2 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD02091
Formula: C30H43O2N4

Smiles:
CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CN(CC3=C[N]N=N3)C1C2C
HBA: 6 RingCount: 7
HBD: 1 FractionCSP3: 0.8
AlogP: 5.54 Num_rotatable_bonds: 2
MolWt: 491.7 Num_heavy_atoms: 36
TPSA: 71.52 NumAromaticRings: 0

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O