Glycoside
...
GD135257

Name:
None

Formula:
C67H98O25N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CCC(OC7CC(O)C(OC8CCC(O)C(C)O8)C(C)O7)C(C)O6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C(=O)O)=CC(O)C4C=C2C)OC3=O)CC1(C)N(O)O

Aglycone:
CC1OC(O)CCC1O.CC1OC(O)CCC1O.COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C(=O)O)=CC(O)C4C=C2C)OC3=O)CC1(C)N(O)O

Sugarmoiety:
CC(=O)OC1C(O)CC(O)OC1C.CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 8 FractionCSP3: 0.78
AlogP: 6.25 Num_rotatable_bonds: 14
MolWt: 1331.51 Num_heavy_atoms: 94
TPSA: 365.71 NumAromaticRings: 0

Unique Aglycone
AD00171
Formula: C6H12O3

Smiles:
CC1OC(O)CCC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.14 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 49.69 NumAromaticRings: 0
AD54694
Formula: C41H56O14N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C(=O)O)=CC(O)C4C=C2C)OC3=O)CC1(C)N(O)O
HBA: 16 RingCount: 6
HBD: 7 FractionCSP3: 0.66
AlogP: 4.1 Num_rotatable_bonds: 5
MolWt: 800.9 Num_heavy_atoms: 57
TPSA: 245.34 NumAromaticRings: 0

Sugarmoiety
SD00072

CC(=O)OC1C(O)CC(O)OC1C.CC1OC(O)CC(O)C1O