Glycoside
...
GD004787

Name:
None

Formula:
C67H96O24N2

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)=C3C(=O)OC4(CC(C=O)=CC(O)C4C=C2C)C3=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)=C3C(=O)OC4(CC(C=O)=CC(O)C4C=C2C)C3=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: 5 FractionCSP3: 0.78
AlogP: 6.36 Num_rotatable_bonds: 14
MolWt: 1313.49 Num_heavy_atoms: 93
TPSA: 341.43 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
AD04137
Formula: C41H54O13N2

Smiles:
COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(O)C4C=C2C)C3=O)CC1(C)[N+](=O)[O-]
HBA: 15 RingCount: 6
HBD: 4 FractionCSP3: 0.66
AlogP: 4.21 Num_rotatable_bonds: 5
MolWt: 782.88 Num_heavy_atoms: 56
TPSA: 221.06 NumAromaticRings: 0

Sugarmoiety
SD00072

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