Glycoside
...
GD115037

Name:
16-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-15,18-dihydroxy-10,14,16-trimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[13.2.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]nonadec-4-en-9-one

Formula:
C34H48O12

Smiles:
CC1=C(C)C(=O)OC(C2(C)OC34C(O)CC2(O)C3(C)CCC2C4CC=C3CC(OC4OC(CO)C(O)C(O)C4O)CC(=O)C32C)C1

Aglycone:
CC1=C(C)C(=O)OC(C2(C)OC34C(O)CC2(O)C3(C)CCC2C4CC=C3CC(O)CC(=O)C32C)C1

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

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 6 FractionCSP3: 0.82
AlogP: 0.58 Num_rotatable_bonds: 4
MolWt: 648.75 Num_heavy_atoms: 46
TPSA: 192.44 NumAromaticRings: 0

Unique Aglycone
AD45435
Formula: C28H38O7

Smiles:
CC1=C(C)C(=O)OC(C2(C)OC34C(O)CC2(O)C3(C)CCC2C4CC=C3CC(O)CC(=O)C32C)C1
HBA: 7 RingCount: 6
HBD: 3 FractionCSP3: 0.79
AlogP: 2.75 Num_rotatable_bonds: 1
MolWt: 486.61 Num_heavy_atoms: 35
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00003

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