Glycoside
...
GD130566

Name:
Dmi-2

Formula:
C44H54O17

Smiles:
CCCC(C)C=C(C)C(=O)OC1C(C)OC(OC2CCC(OC3C(=O)C(C(C)=O)C(=O)C4(O)C(=O)c5c(O)c6c(c(C)c5CC34O)C(=O)C(OC)=CC6=O)OC2C)CC1(C)O

Aglycone:
CCCC(C)C=C(C)C(=O)O.COC1=CC(=O)c2c(O)c3c(c(C)c2C1=O)CC1(O)C(OC2CCC(O)C(C)O2)C(=O)C(C(C)=O)C(=O)C1(O)C3=O

Sugarmoiety:
CC1OC(O)CC(C)(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 4 FractionCSP3: 0.61
AlogP: 2.64 Num_rotatable_bonds: 11
MolWt: 854.9 Num_heavy_atoms: 61
TPSA: 255.79 NumAromaticRings: 1

Unique Aglycone
AD52913
Formula: C9H16O2

Smiles:
CCCC(C)C=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 2.45 Num_rotatable_bonds: 4
MolWt: 156.22 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 0
AD52914
Formula: C28H28O13

Smiles:
COC1=CC(=O)c2c(O)c3c(c(C)c2C1=O)CC1(O)C(OC2CCC(O)C(C)O2)C(=O)C(C(C)=O)C(=O)C1(O)C3=O
HBA: 13 RingCount: 5
HBD: 4 FractionCSP3: 0.5
AlogP: -0.56 Num_rotatable_bonds: 4
MolWt: 572.52 Num_heavy_atoms: 41
TPSA: 211.03 NumAromaticRings: 1

Sugarmoiety
SD00693

CC1OC(O)CC(C)(O)C1O