Glycoside
...
GD131770

Name:
8,16-dihydroxy-6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-2,8,10,13,18,18-hexamethyl-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-12-one

Formula:
C36H56O12

Smiles:
CC1(O)CC(C=C(CO)CO)OC2CC3(C)C4CC=C5C(CC(O)C(OC6OC(CO)C(O)C(O)C6O)C5(C)C)C4(C)C(=O)CC3(C)C21

Aglycone:
CC1(O)CC(C=C(CO)CO)OC2CC3(C)C4CC=C5C(CC(O)C(O)C5(C)C)C4(C)C(=O)CC3(C)C21

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 8 FractionCSP3: 0.86
AlogP: 0.36 Num_rotatable_bonds: 6
MolWt: 680.83 Num_heavy_atoms: 48
TPSA: 206.6 NumAromaticRings: 0

Unique Aglycone
AD53371
Formula: C30H46O7

Smiles:
CC1(O)CC(C=C(CO)CO)OC2CC3(C)C4CC=C5C(CC(O)C(O)C5(C)C)C4(C)C(=O)CC3(C)C21
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.83
AlogP: 2.53 Num_rotatable_bonds: 3
MolWt: 518.69 Num_heavy_atoms: 37
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00003

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