Glycoside
...
GD133708

Name:
methyl 3-ethenyl-4-(2-{[6-({2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetyl}oxy)-4-(methoxycarbonyl)-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-2-oxoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C45H60O25

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OC1CC2C(C(=O)OC)=COC(OC(=O)CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C=C)C2C1C

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OC1CC2C(C(=O)OC)=COC(OC(=O)CC3C(C(=O)OC)=COC(O)C3C=C)C2C1C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 6
HBD: 8 FractionCSP3: 0.67
AlogP: -2.8 Num_rotatable_bonds: 17
MolWt: 1000.95 Num_heavy_atoms: 70
TPSA: 357.95 NumAromaticRings: 0

Unique Aglycone
AD54101
Formula: C33H40O15

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OC1CC2C(C(=O)OC)=COC(OC(=O)CC3C(C(=O)OC)=COC(O)C3C=C)C2C1C
HBA: 15 RingCount: 4
HBD: 2 FractionCSP3: 0.55
AlogP: 1.55 Num_rotatable_bonds: 11
MolWt: 676.67 Num_heavy_atoms: 48
TPSA: 199.65 NumAromaticRings: 0

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O