Glycoside
...
GD125220

Name:
None

Formula:
C67H100O24N2

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(CO)=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(CO)=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: 26 RingCount: 10
HBD: 8 FractionCSP3: 0.79
AlogP: 6.16 Num_rotatable_bonds: 14
MolWt: 1317.53 Num_heavy_atoms: 93
TPSA: 348.64 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
AD50637
Formula: C41H58O13N2

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(CO)=CC(O)C4C=C2C)OC3=O)CC1(C)N(O)O
HBA: 15 RingCount: 6
HBD: 7 FractionCSP3: 0.68
AlogP: 4.01 Num_rotatable_bonds: 5
MolWt: 786.92 Num_heavy_atoms: 56
TPSA: 228.27 NumAromaticRings: 0

Sugarmoiety
SD00072

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