Glycoside
...
GD137990

Name:
9-[({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)methyl]-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C47H70O16

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 8 FractionCSP3: 0.81
AlogP: 2.74 Num_rotatable_bonds: 10
MolWt: 891.06 Num_heavy_atoms: 63
TPSA: 259.2 NumAromaticRings: 0

Unique Aglycone
AD48820
Formula: C41H60O11

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.78
AlogP: 4.91 Num_rotatable_bonds: 7
MolWt: 728.92 Num_heavy_atoms: 52
TPSA: 180.05 NumAromaticRings: 0

Sugarmoiety
SD00003

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