Glycoside
...
GD128016

Name:
None

Formula:
C70H102O22N2

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=CC(C)=O)=CC(O)C4C=C2C)OC3=O)CC1(C)N

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=CC(C)=O)=CC(O)C4C=C2C)OC3=O)CC1(C)N

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

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 7 FractionCSP3: 0.76
AlogP: 7.19 Num_rotatable_bonds: 14
MolWt: 1323.58 Num_heavy_atoms: 94
TPSA: 327.8 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
AD51860
Formula: C44H60O11N2

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=CC(C)=O)=CC(O)C4C=C2C)OC3=O)CC1(C)N
HBA: 13 RingCount: 6
HBD: 6 FractionCSP3: 0.64
AlogP: 5.04 Num_rotatable_bonds: 5
MolWt: 792.97 Num_heavy_atoms: 57
TPSA: 207.43 NumAromaticRings: 0

Sugarmoiety
SD00072

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