Glycoside
...
GD141768

Name:
19-(3-hydroxy-2-methyl-4-oxopentan-3-yl)-10,14-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18,21-dioxahexacyclo[12.9.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²².0¹⁶,²⁰]tricosa-1(23),2(11)-dien-17-one

Formula:
C35H50O11

Smiles:
CC(=O)C(O)(C(C)C)C1OC(=O)C2C1OC1C=C3C4=C(CCC3(C)C12)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)CC1CC4

Aglycone:
CC(=O)C(O)(C(C)C)C1OC(=O)C2C1OC1C=C3C4=C(CCC3(C)C12)C1(C)CCC(O)CC1CC4

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

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 5 FractionCSP3: 0.83
AlogP: 1.71 Num_rotatable_bonds: 6
MolWt: 646.77 Num_heavy_atoms: 46
TPSA: 172.21 NumAromaticRings: 0

Unique Aglycone
AD57084
Formula: C29H40O6

Smiles:
CC(=O)C(O)(C(C)C)C1OC(=O)C2C1OC1C=C3C4=C(CCC3(C)C12)C1(C)CCC(O)CC1CC4
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.79
AlogP: 3.89 Num_rotatable_bonds: 3
MolWt: 484.63 Num_heavy_atoms: 35
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD00003

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