Glycoside
...
GD007860

Name:
(3,4,5-trihydroxy-6-{[2,6,6,10-tetramethyl-7-oxo-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-3-yl]oxy}oxan-2-yl)methyl acetate

Formula:
C38H62O11

Smiles:
CC(=O)OCC1OC(O[C@@H]2CC3C(C)(C)C(=O)CC[C@@]3(C)C3CC[C@@]45C[C@@]4(CCC5[C@H](C)C[C@H](O)[C@H](O)C(C)(C)O)[C@]32C)C(O)C(O)C1O

Aglycone:
CC(CC(O)C(O)C(C)(C)O)C1CCC23CC12CCC1C2(C)CCC(=O)C(C)(C)C2CC(O)C13C.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 6 FractionCSP3: 0.95
AlogP: 2.88 Num_rotatable_bonds: 9
MolWt: 694.9 Num_heavy_atoms: 49
TPSA: 183.21 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00846
Formula: C30H50O5

Smiles:
CC(CC(O)C(O)C(C)(C)O)C1CCC23CC12CCC1C2(C)CCC(=O)C(C)(C)C2CC(O)C13C
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.97
AlogP: 4.48 Num_rotatable_bonds: 5
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O